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.
- Molecular Weight: 329.407
- Molecular Formula: C20H19N5
Purity: 99.90%
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
- 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% salineSolubility: 2.08 mg/mL (6.31 mM); Suspended solution; Need ultrasonic2.Add each solvent one by one: 10% DMSO >> 90%corn oilSolubility: ≥ 2.08 mg/mL (6.31 mM); Clear solution
- Appearance: White to off-white (Solid)
- Storage: Powder: -20°C: 3 years4°C: 2 yearsIn solvent: -80°C: 6 months-20°C: 1 month
Synonyms:
TMC120; TMC 120; TMC-120; R 147681; R-147681; R147681; Dapivirine.
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