Description
HCV-IN-7 is an orally active and potent pan-genotypic HCV NS5A inhibitor with IC50s of 3-47 pM. HCV-IN-7 shows a superior pan-genotypic profile and a good pharmacokinetic profile coupled with a favorable liver uptake. HCV-IN-7 has anti-viral activity.
Product information
CAS Number: 1449756-86-8
Molecular Weight: 768.92
Formula: C40H48N8O6S
Chemical Name: methyl N-[(2S)-1-(2-{5-[7-(2-{1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl}-1H-imidazol-5-yl)naphtho[1,2-b]thiophen-2-yl]-1H-imidazol-2-yl}pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
Smiles: CC(C)[C@H](NC(=O)OC)C(=O)N1CCCC1C1NC(=CN=1)C1=CC2=CC=C3C=C(C=CC3=C2S1)C1=CN=C(N1)C1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C
InChiKey: LDAZZKPDFMKNSP-RQRATSDMSA-N
InChi: InChI=1S/C40H48N8O6S/c1-21(2)32(45-39(51)53-5)37(49)47-15-7-9-29(47)35-41-19-27(43-35)24-13-14-26-23(17-24)11-12-25-18-31(55-34(25)26)28-20-42-36(44-28)30-10-8-16-48(30)38(50)33(22(3)4)46-40(52)54-6/h11-14,17-22,29-30,32-33H,7-10,15-16H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t29?,30?,32-,33-/m0/s1
Technical Data
Appearance: Solid Power
Purity: ≥98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis
Storage Condition: Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.
Shelf Life: ≥12 months if stored properly.
Stock Solution Storage: 0 - 4 oC for 1 month or refer to the Certificate of Analysis.
Drug Formulation: To be determined
HS Tariff Code: 382200
How to use
In Vitro:
HCV-IN-7 inhibits GT1b (IC50=12 pM), GT2a (IC50=5 pM), GT1a (IC50=27 pM), GT3a (IC50=47 pM), GT4a (IC50=3 pM), GT6a (IC50=28 pM). HCV-IN-7 (10 µM) has 12%, 42%, 12% inhibition for CYP2D6, CYP2C9, CYP3A4, respectively. HCV-IN-7 (10 µM) has cytotoxicity of 14%, 22%, 36% in Huh7, HepG2 and HEK cells, respectively. HCV-IN-7 has a less complex central tricyclic core as novel and potent pan-genotypic NS5A inhibitors with good pharmacokinetic profile.
In Vivo:
HCV-IN-7 (iv; 1 mg/kg) has a T1/2 of 2 hours, CL of 11 mL/min/kg, and a Vss of 2 L/kg for rats. HCV-IN-7 (po; 10 mg/kg) has a Cmax of 1 μM and an AUClast of 6 μM for rats. HCV-IN-7 (iv; 1 mg/kg) has a T1/2 of 4 hours, a CL of 6 mL/min/kg, and a Vss of 2 L/kg for dog. HCV-IN-7 (po; 10 mg/kg) has a Cmax of 5 μM and an AUClast of 49 μM for dog.
Products are for research use only. Not for human use.
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