Name: MRK003
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218963803
Cas No:623165-93-5
常用名:MRK003
IUPAC:(1'R,3R,10'S)-5-(2,2,2-trifluoroethyl)-5'-[(1E)-3-[4-(trifluoromethyl)piperidin-1-yl]prop-1-en-1-yl]spiro[1lambda6,2,5-thiadiazolidine-3,13'-tricyclo[8.2.1.0^{3,8}]tridecane]-3'(8'),4',6'-triene-1,1-dione
IUPAC:(1'R,3R,10'S)-5-(2,2,2-trifluoroethyl)-5'-[(1E)-3-[4-(trifluoromethyl)piperidin-1-yl]prop-1-en-1-yl]spiro[1lambda6,2,5-thiadiazolidine-3,13'-tricyclo[8.2.1.0^{3,8}]tridecane]-3'(8'),4',6'-triene-1,1-dione
InChI key:NKHUILHBYOOZDF-NCOIWELASA-N

分子式:C25H31F6N3O2S
分子量:551.59
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CC[C@]([H])(Cc3cc(\C=C\CN4CCC(CC4)C(F)(F)F)ccc3C1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1
SMILES:[H][C@]12CC[C@]([H])(Cc3cc(\C=C\CN4CCC(CC4)C(F)(F)F)ccc3C1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1

MRK003 is a γ-secretase inhibitor exhibits promising in vitro pre-clinical activity in multiple myeloma and non-Hodgkin's lymphoma. MRK003 treatment induced caspase-dependent apoptosis and inhibited proliferation of MM and NHL cell lines and patient cells. Examination of signaling events after treatment showed time-dependent decrease in levels of the notch intracellular domain, Hes1 and c-Myc. MRK003 downregulated cyclin D1, Bcl-Xl and Xiap levels in NHL cells and p21, Bcl-2 and Bcl-Xl in MM cells. In addition, MRK003 caused an upregulation of pAkt, indicating crosstalk with the PI3K/Akt pathway.

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