Name: SNIPER(ABL)-015
Rating: 5 (10 reviews)

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HIT ID:HIT212080548
Cas No:
常用名:SNIPER(ABL)-015
IUPAC:(2S)-2-{[(2S)-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(methylamino)propanamido]acetyl]pyrrolidin-2-yl]formamido}-3,3-diphenyl-N-(2-{2-[2-(2-{[3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)phenyl]formamido}ethoxy)ethoxy]ethoxy}ethyl)propanamide
IUPAC:(2S)-2-{[(2S)-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(methylamino)propanamido]acetyl]pyrrolidin-2-yl]formamido}-3,3-diphenyl-N-(2-{2-[2-(2-{[3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)phenyl]formamido}ethoxy)ethoxy]ethoxy}ethyl)propanamide
InChI key:CYNNYMZGPVIXHI-ZUDXTMBRSA-N

分子式:C58H70F3N9O9
分子量:1094.247
氢键供体数 (HBD):6
氢键受体数 (HBA):13
LogP:7.156461
SMILES:CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCOCCOCCOCCNC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
SMILES:CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCOCCOCCOCCNC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1

SNIPER(ABL)-015, conjugating GNF5 (ABL inhibitor) to MV-1 (IAP ligand) with a linker, induces the reduction of BCR-ABL protein with a DC50 of 5 μM [1].

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