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Vicriviroc

Vicriviroc structure

CAS No:
306296-47-9
Formula:
C28H38F3N5O2
Chemical Name:
Vicriviroc
Synonyms:
Methanone,(4,6-dimethyl-5-pyrimidinyl)[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-1-piperazinyl]-4-methyl-1-piperidinyl]-;Piperidine,1-[(4,6-dimethyl-5-pyrimidinyl)carbonyl]-4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-1-piperazinyl]-4-methyl-;(4,6-Dimethyl-5-pyrimidinyl)[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-1-piperazinyl]-4-methyl-1-piperidinyl]methanone;Vicriviroc;SCH-D;Vicroviroc;MK 7690;394730-30-4

Description

(4,6-dimethyl-5-pyrimidinyl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-1-piperazinyl]-4-methyl-1-piperidinyl]methanone is a member of (trifluoromethyl)benzenes.|Vicriviroc, also known as SCH 417690 and SCH-D, is currently in clinical trials for the management of HIV-1. This pyrimidine based drug inhibits the interaction of HIV-1 with CCR5, preventing viral entry into cells. This drug was developed by Schering-Plough.|Vicriviroc is a piperazine-based CCR5 receptor antagonist with activity against human immunodeficiency virus. Vicriviroc is designed to bind to CCR5 and inhibit the entry of HIV into CD4 cells.

Vicriviroc Basic Attributes

Molecular Weight：

533.6288296

Exact Mass：

533.63

UNII：

TL515DW4QS

NCI Thesaurus Code：

C73589

Characteristics

PSA：

61.8

XLogP3：

2.00

Density：

1.2±0.1 g/cm3

Boiling Point：

608.1±55.0 °C at 760 mmHg

Flash Point：

321.5±31.5 °C

Refractive Index：

1.541

Drug Information

Drug Indication：

Investigated for use/treatment in HIV infection and viral infection.

Metabolism/Metabolites：

Metabolised primarily by the CYP3A4 system|Vicriviroc has known human metabolites that include N-Desalkylvicriviroc, O-Desmethylvicriviroc, and Vicriviroc N-oxide.

Mechanism of Action：

Vicriviroc is a once daily oral inhibitor of CCR5. It noncompetitively binds to a hydrophobic pocket between transmembrance helices by the extracellular side of CCR5. This allosteric antagonism causes a conformational change in the protein preventing binding of gp120 to CCR5. This prevents the entry of HIV into the cell.

MeSH Entry Terms：

1-((4,6-dimethyl-5-pyrimidinyl)carbonyl)-4-(4-(2-methoxy-4-(trifluoromethyl)phenyl)ethyl-3-methyl-1-piperazinyl)-4-methylpiperidine

Computed Properties

Molecular Weight:533.6
XLogP3:3.7
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:533.29775996
Monoisotopic Mass:533.29775996
Topological Polar Surface Area:61.8
Heavy Atom Count:38
Complexity:773
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Vicriviroc

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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