-
Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
- Dengue virus
- Endogenous Metabolite
- Enterovirus (EV)
- Epstein-Barr virus (EBV)
- Filovirus
- Flavivirus
- HCV Protease
- Hepatitis B Virus (HBV)
- Hepatitis C Virus (HCV)
- Herpes simplex Virus (HSV)
- HIF/HIF Prolyl-Hydroxylase
- HIV Integrase
- HIV Protease
- Human immunodeficiency Virus (HIV)
- Human papillomavirus (HPV)
- Influenza Virus
- Nipah virus
- Orthopoxvirus
- Others
- Rabies virus (RABV)
- Respiratory syncytial Virus (RSV)
- Reverse Transcriptases (RTs)
- SARS-CoV
- Tobacco mosaic virus (TMV)
- Vesicular stomatitis virus (VSV)
- Virus Protease
- West Nile virus
- Antiviral intermediates
Aplaviroc-hydrochloride
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| Category | Human immunodeficiency Virus (HIV) |
| CAS | 461023-63-2 |
| Description | Aplaviroc (AK 602), a SDP derivative, is a CCR5 antagonist, with IC50s of 0.1-0.4 nM for HIV-1Ba-L, HIV-1JRFL and HIV-1MOKW. |
Product Information
| Synonyms | Aplaviroc hydrochloride|Aplaviroc HCl|UNII-04D148Z3VR|Aplaviroc (hydrochloride)|Aplaviroc hydrochloride [USAN]|461023-63-2|04D148Z3VR|461023-63-2 (HCL)|GW873140A|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|ONO-4128|GW-873140|DSSTox_CID_27316|DSSTox_RID_82265|DSSTox_GSID_47316|SCHEMBL4821965|DTXSID1047316|Tox21_300211|HY-17450A|GW-873140A|NCGC00254150-01|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 |
| Molecular Weight | 614.17 |
| Molecular Formula | C33H44ClN3O6 |
| 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 |
| Purity | 99.76% |
| Solubility | In Vitro: DMSO : 200 mg/mL(325.64 mM;Need ultrasonic) H2O : < 0.1 mg/mL (ultrasonic;warming;heat to 60°C)(insoluble) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: ≥ 12.5 mg/mL (20.35 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline) Solubility: ≥ 12.5 mg/mL (20.35 mM); Clear solution 3.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 12.5 mg/mL (20.35 mM); Clear solution |
| Appearance | White to off-white (Solid) |
| Storage | Powder: -20°C 3 years 4°C 2 years In solvent: -80°C 6 months -20°C 1 month |
| Complexity | 915 |
| Exact Mass | 613.29200 |
| PSA | 122.90000 |
| Target | HIV-1Ba-L : 0.4 nM (IC50) HIV-1JRFL: 0.1 nM (IC50) HIV-1MOKW: 0.2 nM (IC50) |
