Hsp90-Cdc37-IN-3

• CAT Number: I043878
• CAS Number: 2361009-68-7
• Molecular Formula: C35H44ClN3O6
• Molecular Weight: 638.19
• Purity: ≥95%
• Synonyms: 3-(2-chloro-4-nitroimidazol-1-yl)propyl (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
• InChI: InChI=1S/C35H44ClN3O6/c1-21-22-8-9-25-33(4,23(22)18-24(40)28(21)41)13-15-35(6)26-19-32(3,11-10-31(26,2)12-14-34(25,35)5)29(42)45-17-7-16-38-20-27(39(43)44)37-30(38)36/h8-9,18,20,26,41H,7,10-17,19H2,1-6H3/t26-,31-,32-,33+,34-,35+/m1/s1
• InChIKey: QHBZROOTFSFIMF-JVIXZCSZSA-N
• SMILES: CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)OCCCN6C=C(N=C6Cl)[N+](=O)[O-])C)C)C)C)O

Hsp90-Cdc37-IN-3 (Compound 9) is a novel celastrol−imidazole derivative with anticancer activity. Hsp90-Cdc37-IN-3 inhibits Hsp90−Cdc37 by covalent-binding, and induces apoptosis[1].
Hsp90-Cdc37-IN-3 (Compound 9) (24 h) shows broad-spectrum antitumor potential with IC50 values of 0.54, 0.59, 0.57, and 0.57 µM against A549, HTC116, U2OS, and MDA-MB231 cells, respectively[1].
Hsp90-Cdc37-IN-3 (0-5 µM, 12 h) inhibits Hsp90−Cdc37 and influences the function of apoptosis-related proteins by covalently combining with both Hsp90 and Cdc37[1].
Hsp90-Cdc37-IN-3 (0-0.8 µM, 48 h) induces apoptosis significantly in A549 cells[1].
Hsp90-Cdc37-IN-3 (0-0.4 µM, 24 h) arrests the cell cycle in the G0/G1 phase in a dose-dependent manner[1].
Hsp90-Cdc37-IN-3 (Compound 9) (0-1 mg/kg; i.p.; once a day, 21 days) shows strong antitumor activity with no significant toxicity[1].

Reference

[1]. Na Li, et al. Discovery of Novel Celastrol-Imidazole Derivatives with Anticancer Activity In Vitro and In Vivo. J Med Chem. 2022 Mar 24;65(6):4578-4589.
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