Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C26H33NO5 |
| Molecular Weight | 439.5439 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)C1=CC=C(COC(=O)N2CCC[C@H](C2)C3=CC=CC(OC(C)(C)C(O)=O)=C3)C=C1
InChI
InChIKey=CSLFIHDRJSTULR-JOCHJYFZSA-N
InChI=1S/C26H33NO5/c1-18(2)20-12-10-19(11-13-20)17-31-25(30)27-14-6-8-22(16-27)21-7-5-9-23(15-21)32-26(3,4)24(28)29/h5,7,9-13,15,18,22H,6,8,14,16-17H2,1-4H3,(H,28,29)/t22-/m1/s1
| Molecular Formula | C26H33NO5 |
| Molecular Weight | 439.5439 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Originator
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Molecular characterization of novel and selective peroxisome proliferator-activated receptor alpha agonists with robust hypolipidemic activity in vivo. | 2009 Feb |
|
| PPAR-α as a key nutritional and environmental sensor for metabolic adaptation. | 2013 Jul 1 |
|
| AlphaScreen selectivity assay for β-catenin/B-cell lymphoma 9 inhibitors. | 2015 Jan 15 |
Sample Use Guides
CP-868388 (hit rate = 0.48%), has statistically ‘‘well-fit’’ curves (0.7 < Hill coefficient < 1.3 and r2 > 0.90) with a Ki value of 1.18 ± 0.212 uM for b-catenin/BCL9 interactions and excellent reproducibility in the triplicate runs. This compound exhibits 44-fold selectivity for b-catenin/BCL9 over b-catenin/E-cadherin interactions. However, the cell-based study indicated that this compound had an IC50 value of >100 mM in the Wnt/b-catenin specific luciferase reporter assay.
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:11:56 GMT 2023
by
admin
on
Sat Dec 16 08:11:56 GMT 2023
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| Record UNII |
999KY5ZIGB
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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10433320
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999KY5ZIGB
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702681-67-2
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DTXSID4044034
Created by
admin on Sat Dec 16 08:11:56 GMT 2023 , Edited by admin on Sat Dec 16 08:11:56 GMT 2023
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