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> Pathway Inhibitors>Enzyme Inhibitors>A-1331852

Enzyme Inhibitors

A-1331852 View larger

A-1331852

AOB37441

CAS: 1430844-80-6

 

Chemical Name: 3-(1-((Adamantan-1-yl)methyl)-5-methyl-1H-pyrazol-4-yl)-6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)picolinic acid

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QuantitymgUnit Price ($/mg or $/Unit)Final Price
15 $14.45 Total: $72.25
110 $12.24 Total: $122.40
125 $10.37 Total: $259.25
150 $8.84 Total: $442.00
1100 $7.65 Total: $765.00

Data sheet

Molecular FormulaC38H38N6O3S
Molecular Weight658.27
CAS Numbers1430844-80-6
Storage Condition0°C (short term), -20°C (long term), desiccated
SolubilityDMSO
Purity98% by HPLC
IUPAC/Chemical Name3-(1-(((3r,5r,7r)-adamantan-1-yl)methyl)-5-methyl-1H-pyrazol-4-yl)-6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)picolinic acid
InChl KeyQCQQONWEDCOTBV-UHFFFAOYSA-N
InChl CodeInChI=1S/C38H38N6O3S/c1-22-29(19-39-44(22)21-38-16-23-13-24(17-38)15-25(14-23)18-38)27-9-10-33(41-34(27)36(46)47)43-12-11-26-5-4-6-28(30(26)20-43)35(45)42-37-40-31-7-2-3-8-32(31)48-37/h2-10,19,23-25H,11-18,20-21H2,1H3,(H,46,47)(H,40,42,45)
SMILES CodeCC1=C(C=NN1CC23CC4CC(C2)CC(C4)C3)C5=C(N=C(C=C5)N6CCC7=CC=CC(=C7C6)C(=O)NC8=NC9=CC=CC=C9S8)C(=O)O
References1) Leverson JD. Chemical parsing: Dissecting cell dependencies with a toolkit of selective BCL-2 family inhibitors. Mol Cell Oncol. 2015 May 26;3(1):e1050155.

2) Lucas CM, Milani M, Butterworth M, Carmell N, Scott LJ, Clark RE, Cohen GM, Varadarajan S. High CIP2A levels correlate with an antiapoptotic phenotype that can be overcome by targeting BCL-XL in chronic myeloid leukemia. Leukemia. 2016 Jun;30(6):1273-81.

3) Butterworth M, Pettitt A, Varadarajan S, Cohen GM. BH3 profiling and a toolkit of BH3-mimetic drugs predict anti-apoptotic dependence of cancer cells. Br J Cancer. 2016 Mar 15;114(6):638-41.

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Novel potent and BCL-XL-selective inhibitor