Name: dMCL1-2
Rating: 5 (10 reviews)

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HIT ID:HIT212080531
Cas No:2351218-88-5
常用名:dMCL1-2
IUPAC:7-[5-({4-[4-(dimethylsulfamoyl)piperazin-1-yl]phenoxy}methyl)-1,3-dimethyl-1H-pyrazol-4-yl]-1-{2-[4-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetyl)piperazin-1-yl]ethyl}-3-[3-(naphthalen-1-yloxy)propyl]-1H-indole-2-carboxylic acid
IUPAC:7-[5-({4-[4-(dimethylsulfamoyl)piperazin-1-yl]phenoxy}methyl)-1,3-dimethyl-1H-pyrazol-4-yl]-1-{2-[4-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetyl)piperazin-1-yl]ethyl}-3-[3-(naphthalen-1-yloxy)propyl]-1H-indole-2-carboxylic acid
InChI key:VPWUIQNEJHXPSK-UHFFFAOYSA-N

分子式:C61H66N10O12S
分子量:1163.32
氢键供体数 (HBD):2
氢键受体数 (HBA):16
LogP:1.4551364
SMILES:CN(C)S(=O)(=O)N1CCN(CC1)c1ccc(OCc2c(c(C)nn2C)-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCN4CCN(CC4)C(=O)COc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)c23)cc1
SMILES:CN(C)S(=O)(=O)N1CCN(CC1)c1ccc(OCc2c(c(C)nn2C)-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCN4CCN(CC4)C(=O)COc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)c23)cc1

dMCL1-2 is a potent and selective myeloid leukemia 1 (MCL1) degrading agent based on PROTAC, which binds to MCL1 with a KD of 30 nM. dmcl-2 activates the apoptosis mechanism by degrading MCL1.This compound is unstable in powder form and other related salt forms are recommended.

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