Description:
Islatravir (MK-8591) is a potent anti-HIV-1 agent, acting as a nucleoside reverse transcriptase inhibitor, with EC50s of 0.068 nM, 3.1 nM and 0.15 nM for HIV-1 (WT), HIV-1 (M184V), HIV-1 (MDR), respectively.
- Molecular Weight: 293.25
- Molecular Formula: C12H12FN5O3
Purity: 99.94%
Canonical SMILES:
C#CC1(C(CC(O1)N2C=NC3=C(N=C(N=C32)F)N)O)CO
InChI:
InChI=1S/C12H12FN5O3/c1-2-12(4-19)6(20)3-7(21-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19-20H,3-4H2,(H2,14,16,17)/t6-,7+,12+/m0/s1
InChIKey: IKKXOSBHLYMWAE-QRPMWFLTSA-N
- Boiling Point: 669.2±65.0 °C(Predicted)
- Melting Point: 220.0-221.4 °C (dec.)
- Solubility: In Vitro: DMSO : 100 mg/mL(341.01 mM;Need ultrasonic)H2O : 3.57 mg/mL(12.17 mM;ultrasonic and warming and heat to 60°C)In Vivo: 1.Add each solvent one by one: 10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% salineSolubility: ≥ 2.08 mg/mL (7.09 mM); Clear solution2.Add each solvent one by one: 10% DMSO >> 90% (20%SBE-β-CD in saline)Solubility: ≥ 2.08 mg/mL (7.09 mM); Clear solution3.Add each solvent one by one: 10% DMSO >> 90%corn oilSolubility: ≥ 2.08 mg/mL (7.09 mM); Clear solution4.Add each solvent one by one: PBSSolubility: 1.35 mg/mL (4.60 mM); Clear solution; Need ultrasonic5.Add each solvent one by one: 5% DMSO >> 40%PEG300 >> 5%Tween-80 >> 50% salineSolubility: ≥ 1.1 mg/mL (3.75 mM); Clear solution6.Add each solvent one by one: 5% DMSO >> 95% (20%SBE-β-CD in saline)Solubility: ≥ 1.1 mg/mL (3.75 mM); Clear solution
- Appearance: White to off-white (Solid)
- Application: Enzyme Inhibitors
- Storage: Powder: -20°C: 3 years4°C: 2 yearsIn solvent: -80°C: 6 months-20°C: 1 month
Synonyms:
EFdA; 4'-Ethynyl-2-Fluoro-2'-Deoxyadenosine
More details are to be found on supplier website
