Boceprevir

Category	HCV Protease
CAS	394730-60-0
Description	An NS3 serine protease inhibitor of hepatitis C virus, for the treatment of HCV infection.

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Synonyms	EBP 520; EBP-520; EBP520; SCH-503034; SCH503034; SCH 503034 trade name: Victrelis.
Molecular Weight	519.687
Molecular Formula	C27H45N5O5
Canonical SMILES	CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCC3)C(=O)C(=O)N)C
InChI	InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1
InChIKey	LHHCSNFAOIFYRV-DOVBMPENSA-N
Purity	0.98
Density	1.2±0.1 g/cm3
Solubility	In Vitro: DMSO : 16.67 mg/mL(32.08 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: ≥ 1.67 mg/mL (3.21 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline) Solubility: 1.67 mg/mL (3.21 mM); Suspended solution; Need ultrasonic 3.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 1.67 mg/mL (3.21 mM); Clear solution
Appearance	Off-white to pale yellow solid powder
Storage	Powder: -20°C 3 years 4°C 2 years In solvent: -80°C 6 months -20°C 1 months
Complexity	959
Exact Mass	519.34206955
Index Of Refraction	1.533
PSA	150.70000
Target	HCV Protease; HCV; SARS-CoV
XLogP3-AA	3.1