A-1210477

For research use only. Not for therapeutic Use.

  • CAT Number: I002181
  • CAS Number: 1668553-26-1
  • Molecular Formula: C₄₆H₅₅N₇O₇S
  • Molecular Weight: 850.04
  • Purity: ≥95%
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A-1210477(Cat No.:I002181) is a highly potent and selective inhibitor of MCL-1, a protein that plays a crucial role in promoting cancer cell survival. With a Ki value of 0.45 nM, A-1210477 exhibits a strong affinity for MCL-1. By specifically binding to MCL-1, it disrupts the protein’s function and leads to the induction of cancer cell apoptosis or programmed cell death. The apoptotic effect of A-1210477 is dependent on the presence of MCL-1, making it a promising candidate for targeted cancer therapy aimed at inhibiting MCL-1-mediated cell survival mechanisms.


Catalog Number I002181
CAS Number 1668553-26-1
Synonyms

7-(5-((4-(4-(N,N-dimethylsulfamoyl)piperazin-1-yl)phenoxy)methyl)-1,3-dimethyl-1H-pyrazol-4-yl)-1-(2-morpholinoethyl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid

Molecular Formula C₄₆H₅₅N₇O₇S
Purity ≥95%
Target Bcl-2 Family
Solubility DMSO: < 4.8 mg/mL
Storage Store at -20°C
IC50 0.45 nM (Ki)
IUPAC Name 7-[5-[[4-[4-(dimethylsulfamoyl)piperazin-1-yl]phenoxy]methyl]-1,3-dimethylpyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid
InChI InChI=1S/C46H55N7O7S/c1-33-43(41(49(4)47-33)32-60-36-19-17-35(18-20-36)51-22-24-52(25-23-51)61(56,57)48(2)3)40-14-8-13-38-39(15-9-29-59-42-16-7-11-34-10-5-6-12-37(34)42)45(46(54)55)53(44(38)40)26-21-50-27-30-58-31-28-50/h5-8,10-14,16-20H,9,15,21-32H2,1-4H3,(H,54,55)
InChIKey XMVAWGSQPHFXKU-UHFFFAOYSA-N
SMILES CC1=NN(C(=C1C2=CC=CC3=C2N(C(=C3CCCOC4=CC=CC5=CC=CC=C54)C(=O)O)CCN6CCOCC6)COC7=CC=C(C=C7)N8CCN(CC8)S(=O)(=O)N(C)C)C
Reference

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<br>[1]. Bruncko M, et al. Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity. J Med Chem. 2015 Mar 12;58(5):2180-2194.
<br>[2]. Leverson JD, et al. Potent and selective small-molecule MCL-1 inhibitors demonstrate on-target cancer cell killing activity as single agents and in combination with ABT-263 (navitoclax). Cell Death Dis. 2015 Jan 15;6:e1590.
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