S55746

  • CAT Number: I019789
  • CAS Number: 1448584-12-0
  • Molecular Formula: C₄₃H₄₂N₄O₆
  • Molecular Weight: 710.82
  • Purity: ≥95%
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S55746(Cat No.:I019789), also known as S 055746 or BCL201 is a novel BCL-2-specific inhibitor that is taken orally and demonstrates high activity. It has a Ki (inhibition constant) of 1.3 nM, indicating strong binding affinity. While it exhibits weak affinity for Bcl-XL and no significant binding for MCL-1 and BFL-1 (BCL2A1/A1), S55746 is highly selective for BCL-2, with a selectivity range of 70-400 times greater compared to BCL-XL.

Catalog Number I019789
CAS Number 1448584-12-0
Molecular Formula

C₄₃H₄₂N₄O₆

Purity 95%
Storage Store at -20°C
IUPAC Name N-(4-hydroxyphenyl)-3-[6-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
InChI InChI=1S/C43H42N4O6/c48-34-15-13-32(14-16-34)47(31-10-2-1-3-11-31)43(50)37-23-39(45-17-7-6-12-38(37)45)35-24-40-41(53-28-52-40)25-36(35)42(49)46-26-30-9-5-4-8-29(30)22-33(46)27-44-18-20-51-21-19-44/h1-5,8-11,13-16,23-25,33,48H,6-7,12,17-22,26-28H2/t33-/m0/s1
InChIKey VYXJULKGMXJVGI-XIFFEERXSA-N
SMILES C1CCN2C(=C(C=C2C3=CC4=C(C=C3C(=O)N5CC6=CC=CC=C6CC5CN7CCOCC7)OCO4)C(=O)N(C8=CC=CC=C8)C9=CC=C(C=C9)O)C1
Reference

[1]. Casara P, et al. S55746 is a novel orally active BCL-2 selective and potent inhibitor that impairs hematological tumor growth. Oncotarget. 2018 Apr 13;9(28):20075-20088.

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