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Unii-33o78xf0bw

Unii-33o78xf0bw structure

CAS No:
635728-49-3
Formula:
C27H37N3O7S.C2H6O
Chemical Name:
Unii-33o78xf0bw
Synonyms:
Carbamic acid, ((1S,2R)-3-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-, (3R,3as,6ar)-hexahydrofuro(2,3-B)furan-3-yl ester, compd. with ethanol (1:1);Darunavir ethanolate;Unii-33o78xf0bw;N-[(1S,2R)-3-[[(4-Aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester compd. with ethanol;Darunavir Ethanolate(Prezista);Darunavir(TMC-114,UIC 94017)Ethanolate;N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl carbamic acid ester, compd. with ethanol (1:1);(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate compound with ethanol (1:1)
Categories:
Biochemical Engineering > Inhibitors

Description

Darunavir ethanolate (TMC114 ethanolate) is a potent HIV protease inhibitor used to treat and prevent HIV/AIDS. Darunavir has a Ki of 1 nM for wild type HIV-1 protease.

Darunavir Ethanolate is the ethanolate form of darunavir, a human immunodeficiency virus type 1 (HIV-1) protease nonpeptidic inhibitor, with activity against HIV. Upon oral administration, darunavir selectively targets and binds to the active site of HIV-1 protease, and inhibits the dimerization and catalytic activity of HIV-1 protease. This inhibits the proteolytic cleavage of viral Gag and Gag-Pol polyproteins in HIV-infected cells. This inhibition leads to the production of immature, non-infectious viral proteins that are unable to form mature virions, and prevents HIV replication.|An HIV PROTEASE INHIBITOR that is used in the treatment of AIDS and HIV INFECTIONS. Due to the emergence of ANTIVIRAL DRUG RESISTANCE when used alone, it is administered in combination with other ANTI-HIV AGENTS.

Unii-33o78xf0bw Basic Attributes

Molecular Weight：

593.736

Exact Mass：

593.277100

UNII：

33O78XF0BW

NCI Thesaurus Code：

C77389

HScode：

29334900

Characteristics

PSA：

169

XLogP3：

4.42680

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P322, P330, P337+P313, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH：

Inhibitors of HIV PROTEASE, an enzyme required for production of proteins needed for viral assembly. (See all compounds classified as HIV Protease Inhibitors.)

MeSH Entry Terms：

114, TMC

Unii-33o78xf0bw Use and Manufacturing

Darunavir Ethanolate(Prezista) is an inhibitor of HIV protease. [1] Darunavir was designed to form robust interactions with the protease enzyme from many strains of HIV, including strains from treatment-experienced patients with multiple resistance mutati

Computed Properties

Molecular Weight:593.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:12
Exact Mass:593.27708651
Monoisotopic Mass:593.27708651
Topological Polar Surface Area:169
Heavy Atom Count:41
Complexity:856
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Unii-33o78xf0bw

CAS No.: 635728-49-3

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Darunavir CAS 635728-49-3

CAS No.: 635728-49-3

Grade: Pharmaceutical Grade

Content: 99%

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