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Ancriviroc

Ancriviroc structure

CAS No:
305792-46-5
Formula:
C28H37BrN4O3
Chemical Name:
Ancriviroc
Synonyms:
SCH-C & AOP-RANTES; [4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)methanone; (Z)-3-(4-((4-bromophenyl)(ethoxyimino)methyl)-4'-methyl-[1,4'-bipiperidine]-1'-carbonyl)-2,4-dimethylpyridine 1-oxide; SCH C; Methanone,(4-bromophenyl)(1'-((2,4-dimethyl-3-pyridinyl)carbonyl)-4'-methyl(1,4'-pipiperidin)-4-yl)-,O-ethyloxime,N1-oxide;
Categories:
Organic Chemistry > Amides

Description

Ancriviroc is a C-C Chemokine Receptor Type 5 (CCR5) antagonist with activity against the human immunodeficiency virus, HIV-1. Ancriviroc is an orally bioavailable small molecule inhibitor of HIV-1 entry via CCR5 coreceptor interaction.

Ancriviroc Basic Attributes

Molecular Weight：

557.52200

Exact Mass：

556.20490

UNII：

322WXU4AU2

NCI Thesaurus Code：

C65233

Characteristics

PSA：

70.60000

XLogP3：

5.51770

Density：

1.32g/cm3

Boiling Point：

701ºC

Flash Point：

377.2ºC

Refractive Index：

1.614

Drug Information

MeSH：

Compounds and drugs that inhibit or block the activity of CCR5 RECEPTORS. (See all compounds classified as CCR5 Receptor Antagonists.)

MeSH Entry Terms：

4-((4-bromophenyl)-(ethoxyimino)methyl)-1'-((2,4-dimethyl-3-pyridinyl)carbonyl)-4'-methyl-1,4'-bipiperidine N-oxide

Computed Properties

Molecular Weight:557.5
XLogP3:4.3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:556.20490
Monoisotopic Mass:556.20490
Topological Polar Surface Area:70.6
Heavy Atom Count:36
Complexity:756
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes