ABL-001

• CAT Number: I002918
• CAS Number: 1492952-76-7
• Molecular Formula: C₂₀H₁₈ClF₂N₅O₃
• Molecular Weight: 449.84
• Purity: 98%
• Synonyms: ABL-001; AB -001; ABL001; asciminib;(R)-N-(4-(chlorodifluoromethoxy)phenyl)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)nicotinamide
• Target: Bcr-Abl
• Target Protein: P00519
• Solubility: Soluble in DMSO, not in water
• Appearance: Solid
• Storage: Dry, dark and at 2 - 8 °C for six months or -20°C for two years.
• IUPAC Name: N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
• InChI: InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-13(2-4-15)26-19(30)12-9-16(17-5-7-25-27-17)18(24-10-12)28-8-6-14(29)11-28/h1-5,7,9-10,14,29H,6,8,11H2,(H,25,27)(H,26,30)/t14-/m1/s1
• InChIKey: VOVZXURTCKPRDQ-CQSZACIVSA-N
• SMILES: C1CN(C[C@@H]1O)C2=C(C=C(C=N2)C(=O)NC3=CC=C(C=C3)OC(F)(F)Cl)C4=CC=NN4

ABL-001（Cat No.:I002918）, also known as Asciminib, is a potent and selective allosteric inhibitor of the BCR-ABL1 tyrosine kinase, targeting the myristoyl pocket of the ABL protein. This mechanism differentiates ABL-001 from ATP-competitive inhibitors, offering an effective treatment for patients with chronic myeloid leukemia (CML), particularly those resistant to or intolerant of traditional therapies. By binding to a distinct site, ABL-001 helps overcome resistance mutations, providing a novel therapeutic approach to combatting drug-resistant forms of CML while minimizing off-target effects and improving patient outcomes.

Reference

1:Wylie AA, Schoepfer J, Jahnke W, Cowan-Jacob SW, Loo A, Furet P, Marzinzik AL, Pelle X, Donovan J, Zhu W, Buonamici S, Hassan AQ, Lombardo F, Iyer V, Palmer M, Berellini G, Dodd S, Thohan S, Bitter H, Branford S, Ross DM, Hughes TP, Petruzzelli L, Vanasse KG, Warmuth M, Hofmann F, Keen NJ, Sellers WR.The allosteric inhibitor ABL001 enables dual targeting of BCR-ABL1.Nature. 2017 Mar 30;543(7647):733-737. doi: 10.1038/nature21702.PMID: 28329763