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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
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- Virus Protease
- West Nile virus
- Antiviral intermediates
CCR5 antagonist 1
![{PARAM:[Name]}()](https://resource.bocsci.com/structure/716354-86-8.gif)
| Category | Human immunodeficiency Virus (HIV) |
| CAS | 716354-86-8 |
| Description | CCR5 antagonist 1 is a CCR5 antagonist extracted from WO 2004054974 A2 that can inhibit HIV replication. |
Product Information
| Synonyms | AC-31371; HY-100261 |
| IUPAC Name | N-tert-butyl-4-chloro-2-fluoro-5-[4-(3-fluorophenyl)-4-[2-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidine-1-carbonyl]benzenesulfonamide |
| Molecular Weight | 738.3 |
| Molecular Formula | C39H46ClF2N5O3S |
| Canonical SMILES | CC1=NC2=CC=CC=C2N1C3CC4CCC(C3)N4CCC5(CCN(CC5)C(=O)C6=CC(=C(C=C6Cl)F)S(=O)(=O)NC(C)(C)C)C7=CC(=CC=C7)F |
| InChI | InChI=1S/C39H46ClF2N5O3S/c1-25-43-34-10-5-6-11-35(34)47(25)30-21-28-12-13-29(22-30)46(28)19-16-39(26-8-7-9-27(41)20-26)14-17-45(18-15-39)37(48)31-23-36(33(42)24-32(31)40)51(49,50)44-38(2,3)4/h5-11,20,23-24,28-30,44H,12-19,21-22H2,1-4H3/t28-,29+,30 |
| InChIKey | ZYJBOSYROBLSKR-BWMKXQIXSA-N |
| Boiling Point | 849.9±75.0 °C at 760 mmHg |
| Purity | >98.00% |
| Density | 1.4±0.1 g/cm3 |
| Solubility | Soluble in DMSO |
| Appearance | Solid powder |
| Storage | Store at -20°C |
| Complexity | 1320 |
| Exact Mass | 737.2977955 |
| Target | CCR; HIV |
| XLogP3-AA | 7.5 |
