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SR10221

CAT: 0957-E1699-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E1699-01Size:5 mg
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Description
SR10221 is a inverse-agonist of PPARγ with IC50 of 1.6 nM in RT112/84 FABP4-NLucP reporter assay. It exhibits an antiproliferative activity in vitro.
CAS Number
1415321-64-0
Target
PPAR
Activity
DNA Damage/DNA Repair
Molecular Formula
C33H37ClN2O4

Chemical Information

(S)-2-(5-((5-(((S)-1-(4-(tert-butyl)phenyl)ethyl)carbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)-2-chlorophenoxy)propanoic acid
CAS Number1415321-64-0
PubChem CID71075102
IUPAC Name(2S)-2-[5-[[5-[[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]-2-chlorophenoxy]propanoic acid
Molecular FormulaC33H37ClN2O4
Molecular Weight561.1
XLogP7.8
Topological Polar Surface Area80.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count40
Formal Charge0
Complexity869
SMILES
CC1=C(N(C2=C1C=C(C=C2)C(=O)N[C@@H](C)C3=CC=C(C=C3)C(C)(C)C)CC4=CC(=C(C=C4)Cl)O[C@@H](C)C(=O)O)C
InChI
InChI=1S/C33H37ClN2O4/c1-19-21(3)36(18-23-8-14-28(34)30(16-23)40-22(4)32(38)39)29-15-11-25(17-27(19)29)31(37)35-20(2)24-9-12-26(13-10-24)33(5,6)7/h8-17,20,22H,18H2,1-7H3,(H,35,37)(H,38,39)/t20-,22-/m0/s1
InChIKey
NPMSSJHJPGMEJW-UNMCSNQZSA-N
Chemical Structure
2D Structure
2D structure of (S)-2-(5-((5-(((S)-1-(4-(tert-butyl)phenyl)ethyl)carbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)-2-chlorophenoxy)propanoic acid
CAS: 1415321-64-0
CID: 71075102
Formula: C33H37ClN2O4
MW: 561.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight561.1
XLogP37.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass560.2441854
Monoisotopic Mass560.2441854
Topological Polar Surface Area80.6 Ų
Heavy Atom Count40
Formal Charge0
Complexity869
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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