Aplaviroc hydrochloride

Base Information

Chemical Name:Aplaviroc hydrochloride
CAS No.:461023-63-2
Molecular Formula:C₃₃H₄₃N₃O₆*ClH
Molecular Weight:614.182
Hs Code.:
UNII:04D148Z3VR
DSSTox Substance ID:DTXSID1047316
Wikidata:Q23731470
NCI Thesaurus Code:C76492
Pharos Ligand ID:5GNCSBAQYY24
ChEMBL ID:CHEMBL1668019

Synonyms:Aplaviroc hydrochloride;Aplaviroc HCl;461023-63-2;Aplaviroc (hydrochloride);Aplaviroc hydrochloride [USAN];GW873140A;UNII-04D148Z3VR;DTXSID1047316;04D148Z3VR;461023-63-2 (HCL);GW-873140A;4-(4-(((3R)-1-Butyl-3-((R)-cyclohexylhydroxymethyl)-2,5-dioxo-1,4,9- triazaspiro(5.5)undec-9-yl)methyl)phenoxy)benzoic acid hydrochloride;Aplaviroc hydrochloride (USAN);CHEMBL1668019;SCHEMBL4821965;DTXCID9027316;QNNBMSGFNQRUEH-PQQSRXGVSA-N;APLAVIROC HYDROCHLORIDE [MI];Tox21_300211;HY-17450A;AKOS040747832;APLAVIROC HYDROCHLORIDE [WHO-DD];NCGC00254150-01;MS-30727;CAS-461023-63-2;CS-0065025;D06557;Q23731470;(3r)-1-butyl-2,5-dioxo-3-((1r)-1-hydroxy-1-cyclohexylmethyl)-9-(4-(4-carboxyphenyloxy)phenylmethyl)-1,4,9-triazaspiro[5.5]undecane.hydrochloride;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;hydrochloride;Benzoic acid, 4-(4-(((3R)-1-butyl-3-((R)-cyclohexylhydroxymethyl)-2,5-dioxo-1,4,9- triazaspiro(5.5)undec-9-yl)methyl)phenoxy)-, monohydrochloride;BENZOIC ACID, 4-(4-(((3R)-1-BUTYL-3-((R)-CYCLOHEXYLHYDROXYMETHYL)-2,5-DIOXO-1,4,9-TRIAZASPIRO(5.5)UNDEC-9-YL)METHYL)PHENOXY)-, MONOHYDROCHLORIDE

Suppliers and Price of Aplaviroc hydrochloride

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of Aplaviroc hydrochloride

Chemical Property:

Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:613.2918638
Heavy Atom Count:43
Complexity:915

Purity/Quality:: 99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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.Cl
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.Cl
Recent EU Clinical Trials:A Phase III, randomized, double-blind, placebo-controlled, multicenter, parallel group study to compare the efficacy and safety of GW873140 400mg BID in combination with a ritonavir-containing optimized background therapy (OBT) regimen versus placebo plus OBT over 48 weeks in HIV-1 infected, treatment-experienced subjects with drug-resistant CCR5/CXCR4-tropic virus.

Technology Process of Aplaviroc hydrochloride

There total 81 articles about Aplaviroc hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 674782-28-6,675184-11-9
Aplaviroc

: 461023-63-2
[3H]-Aplaviroc hydrochloride

Guidance literature:: With hydrogenchloride; In methanol; water; at 0 - 55 ℃; for 1.5h;

Reference yield:

: (3R)-1-butyl-2,5-dioxo-3-((1R)-1-hydroxy-1-cyclohexylmethyl)-1,4,9-triazaspiro[5.5]undecane hydrochloride

: 2509-18-4
4-(4-formylphenoxy)benzoic acid

: 461023-63-2
[3H]-Aplaviroc hydrochloride

Guidance literature:: (3R)-1-butyl-2,5-dioxo-3-((1R)-1-hydroxy-1-cyclohexylmethyl)-1,4,9-triazaspiro[5.5]undecane hydrochloride; 4-(4-formylphenoxy)benzoic acid; With sodium tris(acetoxy)borohydride; acetic acid; In N,N-dimethyl-formamide;

With hydrogenchloride; In ethyl acetate;
DOI:10.1016/j.bmc.2011.05.022

Reference yield:

: C₁₉H₃₃N₃O₃*ClH

: 2509-18-4
4-(4-formylphenoxy)benzoic acid

: 461023-63-2
4-[4-(((3R)-1-butyl-3-[(S)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl)methyl)phenoxy]benzoic acid hydrochloride

Guidance literature:: C₁₉H₃₃N₃O₃*ClH; 4-(4-formylphenoxy)benzoic acid; With sodium tris(acetoxy)borohydride; acetic acid; In N,N-dimethyl-formamide;

With hydrogenchloride; In ethyl acetate;
DOI:10.1016/j.bmc.2011.05.022