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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
SNIPER(ABL)-039, conjugating Dasatinib ( ABL inhibitor ) to LCL161 derivative ( IAP ligand) with a linker,induces the reduction of BCR-ABL protein with a DC 50 of 10 nM. IC 50 s are 0.54 nM, 10 nM, 12 nM, and 50 nM for ABL , cIAP1 , cIAP2, XIAP , respectively.
| Canonical Smiles | CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)C(=O)COCCOCCOCCOC5=CC=CC(=C5)C(=O)C6=CSC(=N6)C7CCCN7C(=O)C(C8CCCCC8)NC(=O)C(C)NC |
|---|---|
| IUPAC Name | N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[2-[2-[2-[3-[2-[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]phenoxy]ethoxy]ethoxy]ethoxy]acetyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide |
| InChIKey | PLCDNLSIFCGNNG-GFKCZKLESA-N |
| INCHI | 1S/C54H68ClN11O9S2/c1-34-11-8-16-40(55)47(34)62-51(70)43-31-57-54(77-43)61-44-30-45(59-36(3)58-44)64-19-21-65(22-20-64)46(67)32-74-26-25-72-23-24-73-27-28-75-39-15-9-14-38(29-39)49(68)41-33-76-52(60-41)42-17-10-18-66(42)53(71)48(37-12-6-5-7-13-37)63-50(69)35(2)56-4/h8-9,11,14-16,29-31,33,35,37,42,48,56H,5-7,10,12-13,17-28,32H2,1-4H3,(H,62,70)(H,63,69)(H,57,58,59,61)/t35-,42-,48-/m0/s1 |
| Isomeric SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)C(=O)COCCOCCOCCOC5=CC=CC(=C5)C(=O)C6=CSC(=N6)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC |
| PubChem CID | 138377572 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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