AN0128

• CAS: 872044-70-7
• Catalog Number: ACM872044707
• Category: Inhibitors
• Molecular Weight: 400.06
• Molecular Formula: C20H16BCl2NO3
• Description: AN0128, also known as CRM-0005 and ONT-0001, is a tumour necrosis factor alpha (TNF-α) inhibitor potentially for the treatment of atopic dermatitis. AN0128 showed promising combination of anti-bacterial and anti-inflammatory activities. This compound is now in clinical development for dermatological conditions. Daily application of AN0128 (1%) compared with controls reduced bone loss by 38 to 44% (P < 0.05), while vehicle alone had no effect (P > 0.05). The reduction in bone loss with AN0128 was similar to that achieved with a NSAID, ketorolac, and Total toothpaste containing triclosan. AN0128 also reduced the level of gingival inflammation 42% compared with the ligature only (P < 0.05), whereas vehicle alone had no effect (P > 0.05). The results indicate that AN0128 significantly reduces the formation of an inflammatory infiltrate and reduces bone loss, measured histologically and by micro-CT.
• Synonyms: AN-0128; CRM-0005; ONT-0001; AN0128; CRM0005; ONT0001; AN 0128; CRM 0005; ONT 0001
• IUPAC Name: ((bis(3-chloro-4-methylphenyl)boraneyl)oxy)(3-hydroxypyridin-2-yl)methanone
• Canonical SMILES: CC1=CC=C(B(OC(C2=NC=CC=C2O)=O)C3=CC=C(C)C(Cl)=C3)C=C1Cl
• InChI: InChI=1S/C20H16BCl2NO3/c1-12-5-7-14(10-16(12)22)21(15-8-6-13(2)17(23)11-15)27-20(26)19-18(25)4-3-9-24-19/h3-11,25H,1-2H3
• InChI Key: ZTLSOLUCMQEGEA-UHFFFAOYSA-N
• Solubility: Soluble in DMSO
• Appearance: Solid powder
• Shelf Life: >2 years if stored properly
• Storage: Dry, dark and at 0-4 °C for short term (days to weeks) or -20 °C for long term (months to years).
• Biological Target: AN0128 is a boron-containing antibacterial and anti-inflammatory agent against S. aureus, S. epidermidis, P. acnes, B. subtilis with minimum inhibitory concentration (MIC) values of 1, 0.5, 0.3, 1 μg/mL.
• Drug Formulation: This drug may be formulated in DMSO
• Elemental Analysis: C, 60.05; H, 4.03; B, 2.70; Cl, 17.72; N, 3.50; O, 12.00
• Exact Mass: 399.06
• HS Tariff Code: 2934.99.9001
• In Vitro Activity: In order to test for concomitant anti-inflammatory activity, 3-hydroxypyridine-2-carbonyloxy-bis(3-chloro-4-methylphenyl)borane (AN0128) was evaluated for its ability to inhibit release of inflammatory cytokines from human peripheral blood mononuclear cells (PBMCs). Either lipopolysaccharide (LPS, 1 μg/mL), Concanavalin A (1 μg/mL) or phyto-hemagglutinin (PHA, 2 μg/mL) was used to induce the release of cytokines from the PBMCs. AN0128 showed strong inhibition of the release of pro-inflammatory cytokines but no inhibition of IFN-γ or IL-4 release. From these studies, AN0128 was shown to have the best combination of anti-bacterial and anti-inflammatory activities.; Reference: Bioorg Med Chem Lett. 2006 Dec 1;16(23):5963-7. https://pubmed.ncbi.nlm.nih.gov/16997550/
• In Vivo Activity: To test AN0128's potential effectiveness in treating periodontal disease, experimental periodontitis was induced in the rat by placing ligatures and assessed the impact of AN0128 and positive and negative controls by micro-CT and histologic measurements. Daily application of AN0128 (1%) compared with controls reduced bone loss by 38 to 44% (P < 0.05), while vehicle alone had no effect (P > 0.05). The reduction in bone loss with AN0128 was similar to that achieved with a NSAID, ketorolac, and Total toothpaste containing triclosan. AN0128 also reduced the level of gingival inflammation 42% compared with the ligature only (P < 0.05), whereas vehicle alone had no effect (P > 0.05). The results indicate that AN0128 significantly reduces the formation of an inflammatory infiltrate and reduces bone loss, measured histologically and by micro-CT.; Reference: J Dent Res. 2008 Feb;87(2):148-52. https://pubmed.ncbi.nlm.nih.gov/18218841/
• Shipping: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
• Stock Solution Storage: 0-4 °C for short term (days to weeks), or -20 °C for long term (months).