SNIPER(ABL)-033, conjugating HG-7-85-01 (ABL inhibitor) to LCL161 derivative (IAP ligand) with a linker, induces the reduction of BCR-ABL protein with a DC50 of 0.3 μM.

Product information

CAS Number: 2222354-18-7

Molecular Weight: 1211.42

Formula: C61H73F3N10O9S2

Chemical Name: 3-{2-[2-(2-{2-[2-(3-{2-[(2S)-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(methylamino)propanamido]acetyl]pyrrolidin-2-yl]-1, 3-thiazole-4-carbonyl}phenoxy)ethoxy]ethoxy}ethoxy)acetamido]-[1, 3]thiazolo[5, 4-b]pyridin-5-yl}-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide

Smiles: C[C@H](NC)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C1=NC(=CS1)C(=O)C1=CC(=CC=C1)OCCOCCOCCOCC(=O)NC1=NC2=CC=C(N=C2S1)C1=CC(=CC=C1)C(=O)NC1=CC(=C(CN2CCN(CC2)CC)C=C1)C(F)(F)F

InChiKey: NJCPVTOZWPVLBE-XOIMNWENSA-N

InChi: InChI=1S/C61H73F3N10O9S2/c1-4-72-23-25-73(26-24-72)36-44-18-19-45(35-47(44)61(62,63)64)66-56(78)43-15-8-13-41(33-43)48-20-21-49-57(67-48)85-60(69-49)70-52(75)37-82-30-29-80-27-28-81-31-32-83-46-16-9-14-42(34-46)54(76)50-38-84-58(68-50)51-17-10-22-74(51)59(79)53(40-11-6-5-7-12-40)71-55(77)39(2)65-3/h8-9,13-16,18-21,33-35,38-40,51,53,65H,4-7,10-12,17,22-32,36-37H2,1-3H3,(H,66,78)(H,71,77)(H,69,70,75)/t39-,51-,53-/m0/s1

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: Soluble in DMSO

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

References:

1. Shibata N, et al. Development of protein degradation inducers of oncogenic BCR-ABL protein by conjugation of ABL kinase inhibitors and IAP ligands. Cancer Sci. 2017 Aug;108(8):1657-1666.

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