TMC-310911

• CAS: 1000287-05-7
• Catalog Number: ACM1000287057
• Category: Inhibitors
• Molecular Weight: 755.99
• Molecular Formula: C38H53N5O7S2
• Description: TMC-310911, also known as ASC-09, is an HIV protease inhibitor potentially for the treatment; of HIV infection.
• Synonyms: TMC-310911; ASC-09; TMC310911; ASC09; TMC 310911; ASC 09
• IUPAC Name: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-((2-((1-cyclopentylpiperidin-4-yl)amino)-N-isobutylbenzo[d]thiazole)-6-sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate
• Canonical SMILES: O=C(O[C@H]1CO[C@@]2([H])OCC[C@]21[H])N[C@@H](CC3=CC=CC=C3)[C@H](O)CN(S(=O)(C4=CC=C5N=C(NC6CCN(C7CCCC7)CC6)SC5=C4)=O)CC(C)C
• InChI: InChI=1S/C38H53N5O7S2/c1-25(2)22-43(23-33(44)32(20-26-8-4-3-5-9-26)41-38(45)50-34-24-49-36-30(34)16-19-48-36)52(46,47)29-12-13-31-35(21-29)51-37(40-31)39-27-14-17-42(18-15-27)28-10-6-7-11-28/h3-5,8-9,12-13,21,25,27-28,30,32-34,36,44H,6-7,10-11,14-20,22-24H2,1-2H3,(H,39,40)(H,41,45)/t30-,32-,33+,34-,36+/m0/s1
• InChI Key: JQUNFHFWXCXPRK-AMMMHQJVSA-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: TMC310911 is a potent HIV type-1 (HIV-1) protease inhibitor with EC50 values ranging from 2.2 nM to 14.2 nM for wild-type; HIV-1.
• Drug Formulation: This drug may be formulated in DMSO
• Elemental Analysis: C, 60.37; H, 7.07; N, 9.26; O, 14.81; S, 8.48
• Exact Mass: 755.3386
• HS Tariff Code: 2934.99.9001
• In Vitro Activity: The in vitro activity of TMC310911 against laboratory HIV strains was evaluated using acutely infected MT4 cells, PBMCs, and M/M cells. The TMC310911 EC50 values against WT HIV-1 ranged from 2.2 to 14 nM, and the corresponding EC90 values ranged from 5.0 to 94.7 nM. The TMC310911 CC50 for MT4 cells was 9.9 μM (interquartile ranges [IQR] = 8.57 to 12.19), with a resulting SI of 692. The TMC310911 EC50 values increased by a median factor of 7 in the presence of 50% human serum. In further analyses of the antiviral activity of TMC310911, an EC50 FC > 4 and an EC50 FC > 10 were used as criteria to describe potential resistance to TMC310911. The TMC310911 EC50 FC was ≤4 for most (82%; n = 1,658) of the 2,011 isolates with decreased susceptibility (FC > 10) to at least one of the current PIs and was between 4 and 10 for 14% (n = 277) of isolates. The activity against a comprehensive panel of PI-resistant mutants and the limited in vitro selection of resistant viruses under drug pressure suggest that TMC310911 represents a potential drug candidate for the management of HIV-1 infection for a broad range of patients, including those with multiple PI resistance.; Reference: Antimicrob Agents Chemother. 2011 Dec;55(12):5723-31. https://pubmed.ncbi.nlm.nih.gov/21896904/
• In Vivo Activity: TBD
• 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).