-
Antiviral API
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- West Nile virus
- Antiviral intermediates
Dapivirine
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| Category | Human immunodeficiency Virus (HIV) |
| CAS | 244767-67-7 |
| Description | Dapivirine, also known as TMC 120, TMC 120 R147681, is a NNRTI for HIV reverse transcriptase with IC50 of 24 nM, inhibiting a broad panel of HIV-1 isolates from different classes, inclucing a wide range of NNRTI-resistant isolates. |
Product Information
| Synonyms | TMC120; TMC 120; TMC-120; R 147681; R-147681; R147681; Dapivirine. |
| Molecular Weight | 329.407 |
| Molecular Formula | C20H19N5 |
| Canonical SMILES | CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C |
| InChI | InChI=1S/C20H19N5/c1-13-10-14(2)19(15(3)11-13)24-18-8-9-22-20(25-18)23-17-6-4-16(12-21)5-7-17/h4-11H,1-3H3,(H2,22,23,24,25) |
| InChIKey | ILAYIAGXTHKHNT-UHFFFAOYSA-N |
| Boiling Point | 557.9±60.0 °C at 760 mmHg |
| Flash Point | 291.2±32.9 °C |
| Purity | 99.90% |
| Density | 1.2±0.1 g/cm3 |
| Solubility | In Vitro: DMSO : ≥ 47 mg/mL(142.68 mM) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: 2.08 mg/mL (6.31 mM); Suspended solution; Need ultrasonic 2.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 2.08 mg/mL (6.31 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 | 452 |
| Exact Mass | 329.16404563 |
| Index Of Refraction | 1.649 |
| In Vitro | Dapivirine (4-64 μM, 24, 48, 72, 96 and 120 hours) inhibits proliferation of glioma cells and induces Apoptosis (16 μM, 12-48 h). Dapivirine (8 and 16 μM, 12 h) enhances invasion of glioma cells. Dapivirine (16 μM, 12 h, 24 h and 48 h) promotes Autophagy in U87 cells. Dapivirine (TMC120-R147681) apparently blocks infection in the primary cultures at a 10 nM concentration, but secondary cultures revealed that a 100 nM concentration was needed to completely prevent proviral integration. |
| In Vivo | Dapivirine (16 mg/kg, once every 3 days for 12 days) exhibits potent antitumor activity in human glioblastoma models in mice. Dapivirine has been shown to have a half-life in the range of 65 to 90 h. |
| PSA | 73.63000 |
| Target | HIV; Reverse Transcriptase; Apoptosis; Autophagy |
| Vapor Pressure | 0.0±1.5 mmHg at 25°C |
| XLogP3-AA | 4.8 |
