ancriviroc , CAS No.370893-06-4, Antagonist of CCR5

Item Number

A607641

Grouped product items
SKU	Size	Availability	Price	Qty
A607641-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,510.90
A607641-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,600.90

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Basic Description

Synonyms	SCH-C & AOP-RANTES\|SCH 351125 & AOP-RANTES\|SCH 351125 (non-stereospecific)\|SCH-351125\|SCH-C\|370893-06-4\|SCH351125\|SCH 351125\|CHEMBL78535\|305792-46-5\|Methanone, (4-bromophenyl)(1'-((2,4-dimethyl-3-pyridinyl)carbonyl)-4'-methyl(1,4'-bipiperidin)-4-yl)-, O-e
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of CCR5

Names and Identifiers

IUPAC Name	[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
INCHI	InChI=1S/C28H37BrN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3/b30-26+
InChi Key	ZGDKVKUWTCGYOA-URGPHPNLSA-N
Canonical SMILES	CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-]
Isomeric SMILES	CCO/N=C(/C1CCN(CC1)C2(CCN(CC2)C(=O)C3=C(C=C[N+](=C3C)[O-])C)C)\C4=CC=C(C=C4)Br
PubChem CID	9574343

PubChem CID

ChEMBL Ligand

BindingDB Ligand

CAS Registry No.

GPCRdb Ligand

References

1. Strizki JM, Xu S, Wagner NE, Wojcik L, Liu J, Hou Y, Endres M, Palani A, Shapiro S, Clader JW et al.. (2001) SCH-C (SCH 351125), an orally bioavailable, small molecule antagonist of the chemokine receptor CCR5, is a potent inhibitor of HIV-1 infection in vitro and in vivo.. Proc Natl Acad Sci USA, 98 (22): (12718-23). [PMID:11606733]
2. van Kuijk AW, Vergunst CE, Gerlag DM, Bresnihan B, Gomez-Reino JJ, Rouzier R, Verschueren PC, van der Leij C, van de Leij C, Maas M et al.. (2010) CCR5 blockade in rheumatoid arthritis: a randomised, double-blind, placebo-controlled clinical trial.. Ann Rheum Dis, 69 (11): (2013-6). [PMID:20693270]
3. Takeuchi T, Kameda H. (2012) What is the future of CCR5 antagonists in rheumatoid arthritis?. Arthritis Res Ther, 14 (2): (114). [PMID:22494450]

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Basic Description