aplaviroc , CAS No.461443-59-4, Antagonist of CCR5

Item Number

A607683

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SKU	Size	Availability	Price	Qty
A607683-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,492.90
A607683-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,700.90

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Basic Description

Synonyms	aplaviroc\|461443-59-4\|AK-602\|GW873140\|Aplaviroc [INN]\|AK 602\|GW 873140\|GW-873140\|98B425P30V\|GSK-873140\|ONO-4128\|4-[4-[[(9R)-11-butyl-9-[(R)-cyclohexyl(hydroxy)methyl]-7,10-dioxo-3,8,11-triazaspiro[5.5]undecan-3-yl]methyl]phenoxy]benzoic acid\|Benzoic acid,
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of CCR5

Names and Identifiers

IUPAC Name	4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid
INCHI	InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1
InChi Key	GWNOTCOIYUNTQP-FQLXRVMXSA-N
Canonical SMILES	CCCCN1C(=O)C(NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)O)C(C5CCCCC5)O
Isomeric SMILES	CCCCN1C(=O)[C@H](NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)O)[C@@H](C5CCCCC5)O
Alternate CAS	461443-59-4
PubChem CID	3001322
MeSH Entry Terms	4-((4-(((3R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro(5.5)undec-9-yl)methyl)phenyl)oxy)benzoic acid hydrochloride;aplaviroc;benzoic acid, 4-(4-(((3R)-1-butyl-3-((R)-cyclohexylhydroxymethyl)-2,5-dioxo-1,4,9- triazaspiro(55)unde

PubChem CID

CAS Registry No.

Wikipedia

ChEMBL Ligand

GPCRdb Ligand

References

1. Currier J, Lazzarin A, Sloan L, Clumeck N, Slims J, McCarty D, Steel H, Kleim JP, Bonny T, Millard J et al.. (2008) Antiviral activity and safety of aplaviroc with lamivudine/zidovudine in HIV-infected, therapy-naive patients: the ASCENT (CCR102881) study.. Antivir Ther (Lond.), 13 (2): (297-306). [PMID:18505181]
2. Nichols WG, Steel HM, Bonny T, Adkison K, Curtis L, Millard J, Kabeya K, Clumeck N. (2008) Hepatotoxicity observed in clinical trials of aplaviroc (GW873140).. Antimicrob Agents Chemother, 52 (3): (858-65). [PMID:18070967]

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Basic Description