TMC310911

Category	HIV Integrase
CAS	1000287-05-7
Description	TMC310911 is a potent and orally active HIV type-1 (HIV-1) protease inhibitor with EC50 values ranged from 2.2 nM to 14.2 nM for wild-type HIV-1. TMC310911 has potent activity against a wide spectrum of recombinant HIV-1 isolates. TMC310911 has strong antiviral activity.

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Product Information

Synonyms	TMC310911\|1000287-05-7\|TMC-310911\|UNII-0151W500HP\|0151W500HP\|TMC 310911\|(3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yl {(2s,3r)-4-[({2-[(1-Cyclopentylpiperidin-4-Yl)amino]-1,3-Benzothiazol-6-Yl}sulfonyl)(2-Methylpropyl)amino]-3-Hydroxy-1-Phenylbutan-2-Yl}carbamate\|(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\|[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[[2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate\|henylbutan-2-yl}carbamate\|ASC09\|ASC 09\|ASC-09\|SCHEMBL9976583\|CHEMBL4756129\|AT16100\|DB15623\|BA176767\|HY-107123\|CS-0027367\|(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl\|Q27456657\|((3aS,4R,6aR)-2,3,3a,4,5,6a-Hexahydrofuro(2,3-b)furan-4-yl) N-((1S,2R)-1-benzyl-3-((2-((1-cyclopentyl-4-piperidyl)amino)-1,3-benzothiazol-6-yl)sulfonyl-isobutyl-amino)-2-hydroxy-propyl)carbamate\|[(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(1S,2R)-1-benzyl-3-[[2-[(1-cyclopentyl-4-piperidyl)amino]-1,3-benzothiazol-6-yl]sulfonyl-isobutyl-amino]-2-hydroxy-propyl]carbamate\|{(2S,3R)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-p\|74T\|Carbamic acid, N-((1S,2R)-3-(((2-((1-cyclopentyl-4-piperidinyl)amino)-6-benzothiazolyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-, (3R,3aS,6aR)-hexahydrofuro(2,3-b)furan-3-yl ester
Molecular Weight	755.99
Molecular Formula	C38H53N5O7S2
Canonical SMILES	CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)N=C(S5)NC6CCN(CC6)C7CCCC7
Purity	99.90%
Solubility	Soluble in DMSO
Appearance	White to off-white (Solid)
Storage	Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month
Complexity	1250
Exact Mass	755.33864139
In Vitro	For a panel of 2,011 recombinant isolates with decreased susceptibility to at least one of the currently approved protease inhibitors (PIs), the FC in TMC310911 EC50 is ≤4 for 82% of isolates and ≤10 for 96% of isolates. The fold change (FC) in TMC310911 EC50 is ≤4 and ≤10 for 72% and 94% of isolates with decreased susceptibility to Darunavir, respectively. In vitro resistance selection (IVRS) performed with r13025, a multiple-PI-resistant recombinant isolate, and TMC310911 selected for mutations L10F, I47V, and L90M (FC in TMC310911 EC50 = 16). The TMC310911 EC50 values against HIV-1/LAI and HIV-2/ROD in MT4 cells with EC50 values of 14.2 nM and 2 nM, respectively, and HIV-1/LAI and HIV-1/SF2 in PBMCs with EC50 values of 2.2 nM and 2.3 nM, respectively, and HIV-1/BaL in M/M cells with an EC50 value of 13.9 nM. And the corresponding EC90 values ranged from 5.0 to 94.7 nM. The TMC310911 CC50 for MT4 cells is 9.9 μM.
Target	EC50: 2.2-14.2 nM (Wild-type HIV-1)
XLogP3-AA	6.3