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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
CXCR4 antagonist 1
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| Category | Human immunodeficiency Virus (HIV) |
| CAS | 675135-69-0 |
| Description | CXCR4 antagonist 1 is a potent CXCR4 antagonist with anti-HIV activity. |
Product Information
| Synonyms | 1,4-Butanediamine, N4-[[4-[[(1H-imidazol-2-ylmethyl)[(1-methyl-1H-imidazol-2-yl)methyl]amino]methyl]phenyl]methyl]-N1,N1-dipropyl-; N-(4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzyl)-N',N'-dipropyl-butane-1,4-diamine |
| IUPAC Name | N-[[4-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methyl]-N',N'-dipropylbutane-1,4-diamine |
| Molecular Weight | 465.68 |
| Molecular Formula | C27H43N7 |
| Canonical SMILES | CCCN(CCC)CCCCNCC1=CC=C(C=C1)CN(CC2=NC=CN2)CC3=NC=CN3C |
| InChI | InChI=1S/C27H43N7/c1-4-16-33(17-5-2)18-7-6-12-28-20-24-8-10-25(11-9-24)21-34(22-26-29-13-14-30-26)23-27-31-15-19-32(27)3/h8-11,13-15,19,28H,4-7,12,16-18,20-23H2,1-3H3,(H,29,30) |
| InChIKey | BFAFZMFJSZSLLV-UHFFFAOYSA-N |
| Purity | ≥98% (HPLC) |
| Solubility | Water: 10 mg/mL |
| Appearance | Off-white solid |
| Storage | Freeze desiccated (hygroscopic) protect from light |
| Complexity | 505 |
| Exact Mass | 465.35799440 |
| In Vitro | HIV-1 entry is triggered by interaction of gp120 with CD4 and chemokine receptors (CKRs), such as CCR5 and CXCR4. |
| Target | CXCR; HIV |
| XLogP3-AA | 3 |
