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Cyclophilin inhibitor 1

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Category Hepatitis C Virus (HCV)
CAS 1509904-96-4
Description Cyclophilin inhibitor 1 is a potent and orally bioavailable cyclophilin inhibitor, and it shows effective anti-HCV activity, with an EC50 of 98 nM for HCV 2a.
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Product Information

Synonyms Cyclophilin inhibitor 1|CHEMBL4176386|SCHEMBL15907884|BDBM50450030|HY-112712|CS-0062849
Molecular Weight 593.67
Molecular Formula C31H39N5O7
Canonical SMILES CC1C2=NC3=C(C=CC(=C3)C=CC4(COCOC4)C(=O)OC(C(=O)NC(C(=O)N5CCCC(N5)C(=O)N1)C)C(C)C)C=C2
InChI InChI=1S/C31H39N5O7/c1-18(2)26-28(38)33-20(4)29(39)36-13-5-6-24(35-36)27(37)32-19(3)23-10-9-22-8-7-21(14-25(22)34-23)11-12-31(30(40)43-26)15-41-17-42-16-31/h7-12,14,18-20,24,26,35H,5-6,13,15-17H2,1-4H3,(H,32,37)(H,33,38)/b12-11+/t19-,20+,24+,26+/m1/s1
InChIKey IVDFPOWAIHEKAG-GOZMEEBJSA-N
Purity >98.00%
Solubility DMSO: 70 mg/mL
Appearance Solid powder
Storage -20°C Refrigerated long-term storage
Complexity 1080
Exact Mass 593.28494860
In Vitro Cyclophilin inhibitor 1 (Compound 3) inhibits HCV 2a activity, with an EC50 of 98 nM.
Target Kd: 5 nM (Cyclophilin A) EC50: 98 nM (HCV 2a)
XLogP3-AA 2.5

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