{"product_id":"diazaborine-64-sodium-salt","title":"VI880 | Diazaborine 64 | Sodium Salt Reference | ≥98%","description":"\u003cdiv style=\"margin-bottom: 28px;\"\u003e\n\u003cdiv style=\"background: #002147; padding: 10px 20px; margin-bottom: 0;\"\u003e  \u003ch3 style=\"margin: 0; font-family: 'Helvetica Neue', Helvetica, Arial, sans-serif; font-size: 0.70em; font-weight: 700; letter-spacing: 0.12em; text-transform: uppercase; color: #fff;\"\u003eTechnical Specifications\u003c\/h3\u003e\n\u003c\/div\u003e\n\u003ctable style=\"width: 100%; border-collapse: collapse; font-size: 0.95em; border: 1px solid #e4e8f0; border-top: none; font-family: 'Helvetica Neue', Helvetica, Arial, sans-serif;\"\u003e\u003ctbody\u003e\n\u003ctr\u003e\n\u003ctd style=\"padding: 9px 16px; font-weight: 600; color: #002147; width: 200px; border-bottom: 1px solid #e4e8f0; background: #f7f8fb; font-size: 0.95em; vertical-align: top;\"\u003eSMILES\u003c\/td\u003e\n\u003ctd style=\"padding: 9px 16px; color: #333; border-bottom: 1px solid #e4e8f0; word-break: break-all;\"\u003e[B-]1(C2=C(C=C(C=C2)C)C=NN1S(=O)(=O)C3=CC=CC=C3)(O)O.[Na+]\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd style=\"padding: 9px 16px; font-weight: 600; color: #002147; width: 200px; border-bottom: 1px solid #e4e8f0; background: #f7f8fb; font-size: 0.95em; vertical-align: top;\"\u003eInChI\u003c\/td\u003e\n\u003ctd style=\"padding: 9px 16px; color: #333; border-bottom: 1px solid #e4e8f0; word-break: break-all;\"\u003eInChI=1S\/C14H14BN2O4S.Na\/c1-11-7-8-14-12(9-11)10-16-17(15(14,18)19)22(20,21)13-5-3-2-4-6-13;\/h2-10,18-19H,1H3;\/q-1;+1\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd style=\"padding: 9px 16px; font-weight: 600; color: #002147; width: 200px; border-bottom: 1px solid #e4e8f0; background: #f7f8fb; font-size: 0.95em; vertical-align: top;\"\u003eInChIKey\u003c\/td\u003e\n\u003ctd style=\"padding: 9px 16px; color: #333; border-bottom: 1px solid #e4e8f0; word-break: break-all;\"\u003eHABIUIGGZIFDKS-UHFFFAOYSA-N\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd style=\"padding: 9px 16px; font-weight: 600; color: #002147; width: 200px; border-bottom: 1px solid #e4e8f0; background: #f7f8fb; font-size: 0.95em; vertical-align: top;\"\u003ePubChem CID\u003c\/td\u003e\n\u003ctd style=\"padding: 9px 16px; color: #333; border-bottom: 1px solid #e4e8f0;\"\u003e178269835\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd style=\"padding: 9px 16px; font-weight: 600; color: #002147; width: 200px; border-bottom: 1px solid #e4e8f0; background: #f7f8fb; font-size: 0.95em; vertical-align: top;\"\u003eMolecular Formula\u003c\/td\u003e\n\u003ctd style=\"padding: 9px 16px; color: #333; border-bottom: 1px solid #e4e8f0;\"\u003eC14H14BN2NaO4S\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd style=\"padding: 9px 16px; font-weight: 600; color: #002147; width: 200px; border-bottom: 1px solid #e4e8f0; background: #f7f8fb; font-size: 0.95em; vertical-align: top;\"\u003eMolecular Weight\u003c\/td\u003e\n\u003ctd style=\"padding: 9px 16px; color: #333; border-bottom: 1px solid #e4e8f0;\"\u003e340.14 g\/mol\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd style=\"padding: 9px 16px; font-weight: 600; color: #002147; width: 200px; border-bottom: 1px solid #e4e8f0; background: #f7f8fb; font-size: 0.95em; vertical-align: top;\"\u003eSolubility\u003c\/td\u003e\n\u003ctd style=\"padding: 9px 16px; color: #333; border-bottom: 1px solid #e4e8f0;\"\u003eSoluble in water, DMSO\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd style=\"padding: 9px 16px; font-weight: 600; color: #002147; width: 200px; border-bottom: 1px solid #e4e8f0; background: #f7f8fb; font-size: 0.95em; vertical-align: top;\"\u003ePurity\u003c\/td\u003e\n\u003ctd style=\"padding: 9px 16px; color: #333; border-bottom: 1px solid #e4e8f0;\"\u003e≥98%\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd style=\"padding: 9px 16px; font-weight: 600; color: #002147; width: 200px; border-bottom: 1px solid #e4e8f0; background: #f7f8fb; font-size: 0.95em; vertical-align: top;\"\u003ePhysical Form\u003c\/td\u003e\n\u003ctd style=\"padding: 9px 16px; color: #333; border-bottom: 1px solid #e4e8f0;\"\u003eWhite to yellowish solid\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd style=\"padding: 9px 16px; font-weight: 600; color: #002147; width: 200px; border-bottom: 1px solid #e4e8f0; background: #f7f8fb; font-size: 0.95em; vertical-align: top;\"\u003eHS Code\u003c\/td\u003e\n\u003ctd style=\"padding: 9px 16px; color: #333; border-bottom: 1px solid #e4e8f0;\"\u003e2934.99\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd style=\"padding: 9px 16px; font-weight: 600; color: #002147; width: 200px; border-bottom: 1px solid #e4e8f0; background: #f7f8fb; font-size: 0.95em; vertical-align: top;\"\u003eShelf Life\u003c\/td\u003e\n\u003ctd style=\"padding: 9px 16px; color: #333; border-bottom: 1px solid #e4e8f0;\"\u003eRetest period: 36 months from date of manufacture\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd style=\"padding: 9px 16px; font-weight: 600; color: #002147; width: 200px; border-bottom: 1px solid #e4e8f0; background: #f7f8fb; font-size: 0.95em; vertical-align: top;\"\u003eStorage Conditions\u003c\/td\u003e\n\u003ctd style=\"padding: 9px 16px; color: #333; border-bottom: 1px solid #e4e8f0;\"\u003eStore in a cool, dry place in a tightly sealed container\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003c\/tbody\u003e\u003c\/table\u003e\n\u003c\/div\u003e\u003cdiv style=\"margin-bottom: 28px;\"\u003e\n\u003cdiv style=\"background: #002147; padding: 10px 20px; margin-bottom: 0;\"\u003e  \u003ch3 style=\"margin: 0; font-family: 'Helvetica Neue', Helvetica, Arial, sans-serif; font-size: 0.70em; font-weight: 700; letter-spacing: 0.12em; text-transform: uppercase; color: #fff;\"\u003eProduct Description \u0026amp; Scientific Applications\u003c\/h3\u003e\n\u003c\/div\u003e\n\u003cdiv style=\"padding: 16px 20px; border: 1px solid #e4e8f0; border-top: none; font-family: Georgia, 'Times New Roman', serif; font-size: 0.95em; line-height: 1.65; color: #333;\"\u003e\u003cul\u003e\n\u003cli\u003e\n\u003cstrong\u003eIdentity:\u003c\/strong\u003e Sodium 1,1-dihydroxy-6-methyl-2-(phenylsulfonyl)-1,2-dihydrobenzo[\u003cem\u003ed\u003c\/em\u003e][1,2,3]diazaborin-1-uide. The water-soluble sodium salt of paper compound 13 from Ilina et al., \u003cem\u003eJ. Med. Chem.\u003c\/em\u003e 2026, 69, 3796–3810, designated \u003cstrong\u003eDiazaborine 64\u003c\/strong\u003e in the publication. The benzodiazaborine ring system carries a 6-methyl substituent on the benzo ring and an unsubstituted phenylsulfonyl group on N2; the boron centre is anionic with sodium counterion.\u003c\/li\u003e\n\u003cli\u003e\n\u003cstrong\u003ePosition in the SAR series — matched-pair reference:\u003c\/strong\u003e VI880 is the \u003cstrong\u003ematched-pair structural reference\u003c\/strong\u003e to the lead VI706 (Diazaborine 62, Na salt of compound 11). VI880 and VI706 share R¹ = 3-methyl on the benzodiazaborine ring and differ only at R² on the sulfonyl side chain — VI880 has an unsubstituted phenyl, VI706 has a 3-aminophenyl. The pair provides a direct matched-pair comparison for assessing how the 3-amino group affects whole-cell activity, FabI inhibition, cytotoxicity, and aqueous salt behaviour.\u003c\/li\u003e\n\u003cli\u003e\n\u003cstrong\u003eAntibacterial spectrum:\u003c\/strong\u003e Compound 13 shows MIC 6.25 μM against \u003cem\u003eE. coli\u003c\/em\u003e CB9615, \u003cem\u003eE. coli\u003c\/em\u003e CFT073, and \u003cem\u003eSalmonella enterica\u003c\/em\u003e serovar Typhimurium 19585; 12.5 μM against \u003cem\u003eE. coli\u003c\/em\u003e ATCC 25922, \u003cem\u003eE. coli\u003c\/em\u003e UMN026 (uropathogenic, multiple antibiotic resistances), \u003cem\u003eAcinetobacter baumannii\u003c\/em\u003e 19606, and \u003cem\u003eKlebsiella aerogenes\u003c\/em\u003e 13048. Activity against \u003cem\u003eK. pneumoniae\u003c\/em\u003e 700603 was substantially lower (\u0026gt;50 μM).\u003c\/li\u003e\n\u003cli\u003e\n\u003cstrong\u003eFabI inhibition data:\u003c\/strong\u003e Compound 13 was reported with a preliminary Kᵢ of 0.34 μM against isolated \u003cem\u003eE. coli\u003c\/em\u003e FabI in the paper's enzymatic assay — among the most potent compounds tested in that subset, and closely matched to compound 11 (Kᵢ 0.32 μM). Mechanism: covalent adduct formation between the boron atom and the 2′-hydroxyl of the ribose in the enzyme-bound NAD⁺ cofactor (PDB 5CG1, 5CG2; resolution 2.07–2.2 Å).\u003c\/li\u003e\n\u003cli\u003e\n\u003cstrong\u003eMatched-pair SAR insight on the 3-amino group:\u003c\/strong\u003e The paper explicitly notes that \u003cstrong\u003ecompounds 11 and 22 differ from compound 13 by the presence of an amine at the R2 benzenesulfonyl side chain instead of an unsubstituted phenyl, showing that an amine substitution is not required for activity at FabI in \u003c\/strong\u003e\u003cstrong\u003e\u003cem\u003eE. coli\u003c\/em\u003e\u003c\/strong\u003e. The matched-pair data therefore show that the 3-amino group is not required for strong isolated FabI inhibition, while its contribution to whole-cell activity and cytotoxicity is strain- and assay-dependent.\u003c\/li\u003e\n\u003cli\u003e\n\u003cstrong\u003eCytotoxicity profile:\u003c\/strong\u003e HepG2 IC₅₀ = 63 ± 9 μM; Hs27 (noncancerous fibroblast) IC₅₀ = 170 ± 9 μM, corresponding to an approximate HepG2\/MIC selectivity index of 5× (calculated against the \u003cem\u003eE. coli\u003c\/em\u003e ATCC 25922 MIC of 12.5 μM). LDH membrane-integrity assay showed 16% cytotoxicity at 250 μM concentration — the highest among the four diazaborines selected for follow-up studies (cytotoxicity order: 13 \u0026gt; 11 \u0026gt; 41 ≥ 47). Selectivity is therefore reduced compared with VI706; for in vivo work VI706 is the preferred candidate.\u003c\/li\u003e\n\u003cli\u003e\n\u003cstrong\u003eColistin synergy (FICI 0.25):\u003c\/strong\u003e Checkerboard assay against \u003cem\u003eE. coli\u003c\/em\u003e ATCC 25922 demonstrates strong synergy with colistin — FICI 0.25 (same as VI706). Compound 13 at 1.25 μM reduces colistin MIC from 1 to 0.25 μg\/mL, equivalent to compound 11. The matched-pair pattern therefore preserves polymyxin synergy independent of the 3-amino group, providing a clean reference compound for synergy mechanism studies.\u003c\/li\u003e\n\u003cli\u003e\n\u003cstrong\u003eAqueous handling and Na-salt usage in the paper:\u003c\/strong\u003e Free-acid parent diazaborines are barely water-soluble; water-soluble sodium salts were used in the paper's water and human-plasma stability experiments to avoid DMSO interference. The paper reports that \u003cstrong\u003ethe biological performance of the salts was identical with the original compounds\u003c\/strong\u003e, with explicit MIC-equivalence demonstration for the salt forms of compound 11. VI880 provides the sodium-salt form of compound 13 for aqueous research workflows without DMSO.\u003c\/li\u003e\n\u003cli\u003e\n\u003cstrong\u003ePlasma stability (¹¹B NMR):\u003c\/strong\u003e The Na salt of compound 13 retained the characteristic ¹¹B NMR single peak at ca. +6.5 ppm after 72 h in human plasma at 37 °C, showing the same qualitative plasma-stability signature reported for the sodium salts of compounds 11 and 41.\u003c\/li\u003e\n\u003cli\u003e\n\u003cstrong\u003eResistance profile:\u003c\/strong\u003e MPC\/MIC = 32, the same ratio reported for compound 11 under the study protocol and similar to fabimycin (approximately 2× ciprofloxacin under the same protocol). In this assay, removal of the 3-amino group did not change the MPC\/MIC ratio.\u003c\/li\u003e\n\u003cli\u003e\n\u003cstrong\u003eResearch applications:\u003c\/strong\u003e Matched-pair structure–activity relationship studies isolating the contribution of 3-amino substitution to whole-cell potency, FabI binding, and cytotoxicity; control compound for FabI binding studies (since FabI inhibition is preserved without the amino group); colistin-synergy mechanism studies decoupled from the amino contribution; structure-guided optimisation reference using PDB 5CG1, 5CG2; comparative pharmacology against the lead VI706.\u003c\/li\u003e\n\u003cli\u003e\n\u003cstrong\u003eClass context:\u003c\/strong\u003e Mechanistically distinct from cyclic boronate β-lactamase inhibitors approved or in clinical development (vaborbactam, FDA-approved 2017; taniborbactam and xeruborbactam in clinical development). Different target (FabI vs β-lactamases), different binding partner (NAD⁺ ribose vs active-site serine), different ring geometry. The original Sandoz diazaborine programme (Grassberger 1984, \u003cem\u003eJ. Med. Chem.\u003c\/em\u003e 27, 947) was halted on intrinsic-toxicity concerns about boron, a position the modern boron-drug regulatory record reopens.\u003c\/li\u003e\n\u003cli\u003e\n\u003cstrong\u003eDocumentation:\u003c\/strong\u003e ≥98% purity by ¹H NMR. CoA and SDS provided with each shipment. DDP shipping to EU, UK, EFTA, and worldwide locations.\u003c\/li\u003e\n\u003cli\u003e\n\u003cstrong\u003eFurther reading:\u003c\/strong\u003e Scientific background on diazaborine FabI inhibitors and water-soluble sodium-salt derivatives in NorrChemica's Lab Journal: \u003ca href=\"https:\/\/www.norrchemica.com\/blogs\/lab-journal\/water-soluble-diazaborines-gram-negative-synergy-research\"\u003eWater-Soluble Diazaborines: Selective Gram-Negative Antibiotic Candidates for Synergy Studies and R\u0026amp;D\u003c\/a\u003e.\u003c\/li\u003e\n\u003c\/ul\u003e\u003c\/div\u003e\n\u003c\/div\u003e\u003cdiv style=\"margin-bottom: 28px;\"\u003e\n\u003cdiv style=\"background: #002147; padding: 10px 20px; margin-bottom: 0;\"\u003e  \u003ch3 style=\"margin: 0; font-family: 'Helvetica Neue', Helvetica, Arial, sans-serif; font-size: 0.70em; font-weight: 700; letter-spacing: 0.12em; text-transform: uppercase; color: #fff;\"\u003eShipping Destinations\u003c\/h3\u003e\n\u003c\/div\u003e\n\u003cdiv style=\"border: 1px solid #e4e8f0; border-top: none; padding: 12px 16px; font-family: 'Helvetica Neue', Helvetica, Arial, sans-serif; font-size: 0.95em;\"\u003e\u003cul style=\"margin: 0; padding: 0; list-style: none;\"\u003e\n\u003cli style=\"padding: 5px 0; border-bottom: 1px solid #f0f0f0;\"\u003e\n\u003cspan style=\"display: inline-block; width: 7px; height: 7px; background: #002147; border-radius: 50%; margin-right: 10px; vertical-align: middle;\"\u003e\u003c\/span\u003eEU \u0026amp; UK: Priority delivery, 2–5 business days.\u003c\/li\u003e\n\u003cli style=\"padding: 5px 0; border-bottom: 1px solid #f0f0f0;\"\u003e\n\u003cspan style=\"display: inline-block; width: 7px; height: 7px; background: #002147; border-radius: 50%; margin-right: 10px; vertical-align: middle;\"\u003e\u003c\/span\u003eUnited States (DDP): 3–7 business days, duties and taxes prepaid.\u003c\/li\u003e\n\u003cli style=\"padding: 5px 0; border-bottom: 1px solid #f0f0f0;\"\u003e\n\u003cspan style=\"display: inline-block; width: 7px; height: 7px; background: #002147; border-radius: 50%; margin-right: 10px; vertical-align: middle;\"\u003e\u003c\/span\u003eEFTA Countries (DDP): 3–7 business days, duties and taxes prepaid.\u003c\/li\u003e\n\u003cli style=\"padding: 5px 0; border-bottom: 1px solid #f0f0f0;\"\u003e\n\u003cspan style=\"display: inline-block; width: 7px; height: 7px; background: #002147; border-radius: 50%; margin-right: 10px; vertical-align: middle;\"\u003e\u003c\/span\u003eWorldwide: 7–14 business days, selected locations.\u003c\/li\u003e\n\u003c\/ul\u003e\u003c\/div\u003e\n\u003c\/div\u003e","brand":"NorrChemica™","offers":[{"title":"10 mg","offer_id":53786857767249,"sku":"NOR-IK-0801020921-10mg","price":280.25,"currency_code":"EUR","in_stock":true},{"title":"25 mg","offer_id":53786857800017,"sku":"NOR-IK-0801020921-25mg","price":597.55,"currency_code":"EUR","in_stock":true},{"title":"50 mg","offer_id":53786857832785,"sku":"NOR-IK-0801020921-50mg","price":1092.0,"currency_code":"EUR","in_stock":true},{"title":"100 mg","offer_id":53786857865553,"sku":"NOR-IK-0801020921-100mg","price":1895.0,"currency_code":"EUR","in_stock":true},{"title":"250 mg","offer_id":53786857898321,"sku":"NOR-IK-0801020921-250mg","price":3795.0,"currency_code":"EUR","in_stock":true},{"title":"500 mg","offer_id":53786857931089,"sku":"NOR-IK-0801020921-500mg","price":6170.0,"currency_code":"EUR","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0954\/6357\/1793\/files\/NorrChemica_VI880_v3.png?v=1782806684","url":"https:\/\/www.norrchemica.com\/products\/diazaborine-64-sodium-salt","provider":"NorrChemica","version":"1.0","type":"link"}