CAS 1212623-02-3

NA

Fórmula: C₂₃H₂₈N₂O₄S₂

InChI: InChI=1S/C23H28N2O4S2/c1-13-16-9-10-23(3)11-17-19(14(2)18(23)20(16)29-21(13)26)24-22(30-17)25-31(27,28)12-15-7-5-4-6-8-15/h4-8,13-14,16,18,20H,9-12H2,1-3H3,(H,24,25)/t13-,14-,16-,18+,20-,23-/m0/s1

Chave InChI: UPWKQRJEZRHLJA-PRKTUJHUSA-N

SMILES: C[C@H]1[C@@H]2CC[C@]3(CC4=C([C@H]([C@@H]3[C@H]2OC1=O)C)N=C(S4)NS(=O)(=O)CC5=CC=CC=C5)C

Sinónimos:

• [Synonyms]

NCATS-SM0225

CAS: 1212623-02-3

NCATS-SM0225 is an ER-associated degradation (ERAD) inhibitor and a direct binder of VDAC1, VDAC2, and VDAC3. It has an IC₅₀ of 1.02 μM for ERAD inhibition and a Kd of 3.13 μM for binding to human VDAC1. NCATS-SM0225 disrupts cellular calcium homeostasis, enhances VDAC1-IP3R coupling, and activates PERK. The compound selectively kills cancer cells and has shown tumor growth inhibition in melanoma xenograft models. It is useful for research into various cancers, including melanoma, as well as studies on ERAD and calcium homeostasis regulatory mechanisms.

Fórmula: C₂₃H₂₈N₂O₄S₂

Peso molecular: 460.61

Ref: TM-T217875