Name: MS 154
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214324231
Cas No:2550393-21-8
常用名:MS 154
IUPAC:3-{4-[3-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)propyl]piperazin-1-yl}-N-(8-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}octyl)propanamide
IUPAC:3-{4-[3-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)propyl]piperazin-1-yl}-N-(8-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}octyl)propanamide
InChI key:ALKKWBPMCDDKKA-UHFFFAOYSA-N

分子式:C46H54ClFN8O8
分子量:901.43
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCN(CCC(=O)NCCCCCCCCOc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)CC1
SMILES:COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCN(CCC(=O)NCCCCCCCCOc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)CC1

MS 154 is a potent and selective cereblon-recruiting Degrader (PROTAC®) of mutant epidermal growth factor receptor (EGFR), comprising a cereblon-binding moiety joined by a linker to gefitinib(Iressa). MS 154 decreases EGFR protein levels, inhibits downstream signaling in and inhibits proliferation of mutant EGFR-bearing lung cancer cells (DC50values are 11 and 25 nM in HCC-827 and H3255 cells, respectively; Dmax> 95% at 50 nM), but not in WT-EGFR-bearing ovarian and lung cancer cells lines. Bioavailable in mice following ip administration.

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