CAS 1000287-05-7

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl N-[(1S,2R)-3-[[[2-[(1-cyclopentyl-4-piperidinyl)amino]-6-benzothiazolyl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamate

Description:

The chemical substance with the name "(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl N-[(1S,2R)-3-[[[2-[(1-cyclopentyl-4-piperidinyl)amino]-6-benzothiazolyl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamate" and CAS number "1000287-05-7" is a complex organic compound characterized by its multi-cyclic structure and various functional groups. It features a hexahydrofurofuran moiety, which contributes to its potential biological activity. The presence of a carbamate group indicates possible interactions with biological systems, particularly in pharmacology. Additionally, the compound contains a benzothiazole moiety, which is often associated with diverse biological activities, including antimicrobial and anticancer properties. The stereochemistry, indicated by the (R) and (S) designations, suggests that the compound may exhibit specific interactions with biological targets, potentially influencing its efficacy and safety profile. Overall, this compound's intricate structure and functional groups suggest it may have significant applications in medicinal chemistry, particularly in drug development.

Formula: C₃₈H₅₃N₅O₇S₂

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: InChIKey=JQUNFHFWXCXPRK-AMMMHQJVSA-N

SMILES: N(C=1SC=2C(N1)=CC=C(S(N(C[C@H]([C@H](CC3=CC=CC=C3)NC(O[C@@H]4[C@]5([C@@](OC4)(OCC5)[H])[H])=O)O)CC(C)C)(=O)=O)C2)C6CCN(CC6)C7CCCC7

Synonyms:

• 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
• (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl N-[(1S,2R)-3-[[[2-[(1-cyclopentyl-4-piperidinyl)amino]-6-benzothiazolyl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamate
• TMC 310911
• ASC 09
• MC-310911
• TMC310911,TMC-310911
• (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)-2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazole-6-sulfonamido]-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

ASC 09

CAS: 1000287-05-7

ASC 09, also known as TMC-310911, is a protease inhibitor developed to treat HIV infections. Recently, ASC 09 has been evaluated for the treatment of SARS-CoV-2 as it shows potential inhibition in silico of SARS-CoV-2 main protease and SARS-CoV main proteases.

Formula: C₃₈H₅₃N₅O₇S₂

Purity: Min. 95%

Molecular weight: 755.99 g/mol

Ref: 3D-BA176767

TMC310911

CAS: 1000287-05-7

TMC310911 is an oral HIV-1 protease inhibitor with an EC50 of 2.2-14.2 nM, effective against various HIV-1 strains.

Formula: C₃₈H₅₃N₅O₇S₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 755.99

Ref: TM-T17106