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(S) -CPP

CAT: 0804-HY-W110242Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W110242Size:1 Each
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Description
(S) -CPP is an allosteric BDK inhibitor. (S) -CPP can be used in the research of type 2 diabetes[1].
CAS Number
41998-38-3
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
PDHK
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Metabolic Disease
Smiles
OC([C@@H](Cl)CC1=CC=CC=C1)=O
Molecular Formula
C9H9ClO2
Molecular Weight
184.62
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Tso SC, et al. Benzothiophene carboxylate derivatives as novel allosteric inhibitors of branched-chain α-ketoacid dehydrogenase kinase. J Biol Chem. 2014 Jul 25;289 (30) :20583-93.
Shipping Conditions
Room temperature
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

(S)-2-Chloro-3-Phenylpropanoic Acid
CAS Number41998-38-3
PubChem CID11830113
IUPAC Name(2S)-2-chloro-3-phenylpropanoic acid
Molecular FormulaC9H9ClO2
Molecular Weight184.62
XLogP2.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity153
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)O)Cl
InChI
InChI=1S/C9H9ClO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)/t8-/m0/s1
InChIKey
LIDRHDRWTSPELB-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of (S)-2-Chloro-3-Phenylpropanoic Acid
CAS: 41998-38-3
CID: 11830113
Formula: C9H9ClO2
MW: 184.62
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.62
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass184.0291072
Monoisotopic Mass184.0291072
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity153
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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