-
Antiviral API
- Arenavirus
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Adaptavir
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| Category | Human immunodeficiency Virus (HIV) |
| CAS | 106362-34-9 |
| Description | A CCR5 receptor antagonist. CCR5 antagonists block HIV from getting into and infecting certain cells of the immune system. |
Product Information
| Synonyms | RAP-101; D-Ala-1-peptide T-NH-2; DAPTA; mDAPTA; Monomeric (D-Alanine-1) Peptide T amide |
| IUPAC Name | (2S)-N-[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]butanediamide |
| Molecular Weight | 856.89 |
| Molecular Formula | C35H56N10O15 |
| Canonical SMILES | CC(C(C(=O)N)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC(=O)N)NC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(C)N)O |
| InChI | InChI=1S/C35H56N10O15/c1-13(36)29(54)41-22(12-46)32(57)43-26(16(4)49)34(59)45-27(17(5)50)35(60)44-25(15(3)48)33(58)40-21(11-23(37)52)30(55)39-20(10-18-6-8-19(51)9-7-18)31(56)42-24(14(2)47)28(38)53/h6-9,13-17,20-22,24-27,46-51H,10-12,36H2,1-5H3,(H2,37,52)(H2,38,53)(H,39,55)(H,40,58)(H,41,54)(H,42,56)(H,43,57)(H,44,60)(H,45,59)/t13-,14-,15-,16-,17-,20+,21+,22+,24+,25+,26+,27+/m1/s1 |
| InChIKey | AKWRNBWMGFUAMF-ZESMOPTKSA-N |
| Boiling Point | 1514.3°C at 760 mmHg |
| Flash Point | 869.6°C |
| Purity | >98% (or refer to the Certificate of Analysis) |
| Density | 1.415 g/cm3 |
| Solubility | Soluble in DMSO |
| Appearance | White Lyophilized Solid |
| Storage | Store at -20°C |
| Complexity | 1530 |
| Exact Mass | 856.39266112 |
| Index Of Refraction | 1.596 |
| In Vitro | DAPTA (1nM) inhibits HIV-1 replication in monocytes/macrophages (M/M) by 90% >. DAPTA blocks HIV entry and prevents HIV-1 infection. DAPTA reduces binding of CCR5 mAbs in human primary macrophages. DAPTA effectively blocks R5 gp120-mediated Apoptosis of nerve cells. DAPTA is more effective than the CCR5 antagonist TAK-779 in preventing Apoptosis. DAPTA potently inhibits specific CD4-dependent binding of gp120 Bal (IC50 = 0.06 nM) and CM235 (IC50 = 0.32 nM) to CCR5. DAPTA (1nM) blocks the formation of the gp120/sCD4 complex with CCR5. DAPTA inhibits the binding of gp120BaL/sCD4 to CCR5 (Cf2Th/synR5) cells with an IC50 of 55±0.08 pM. |
| PSA | 437.28000 |
| Target | CCR; HIV |
| Vapor Pressure | 0mmHg at 25°C |
| XLogP3-AA | -6.9 |
