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3-Chloro-5-hydroxybenzoic acid

CAT: 0804-HY-W016868-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W016868-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
3-Chloro-5-hydroxybenzoic acid is a potent, orally active and selective lactate receptor GPR81 agonist, with an EC50 of 16 μM for human GPR81. 3-Chloro-5-hydroxybenzoic acid exhibits favorable in vivo effects on lipolysis in a mouse model of obesity[1].
CAS Number
53984-36-4
UNSPSC
12352005
Hazard Statement
H302, H315, H318, H335
Target
Hydroxycarboxylic Acid Receptor (HCAR)
Type
Reference compound
Related Pathways
GPCR/G Protein
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/3-chloro-5-hydroxybenzoic-acid.html
Concentration
10mM
Purity
99.54
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
ClC1=CC(O)=CC(C(O)=O)=C1
Molecular Formula
C7H5ClO3
Molecular Weight
172.57
Precautions
H302, H315, H318, H335
References & Citations
[1]Dvorak CA, et al. Identification of Hydroxybenzoic Acids as Selective Lactate Receptor (GPR81) Agonists with Antilipolytic Effects. ACS Med Chem Lett. 2012;3 (8) :637-639. Published 2012 Jun 11.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
HCAR1

Chemical Information

3-Chloro-5-hydroxybenzoic Acid

A potent GPR81 agonist.

CAS Number53984-36-4
PubChem CID13071646
IUPAC Name3-chloro-5-hydroxybenzoic acid
Molecular FormulaC7H5ClO3
Molecular Weight172.56
XLogP1.8
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity160
SMILES
C1=C(C=C(C=C1O)Cl)C(=O)O
InChI
InChI=1S/C7H5ClO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,(H,10,11)
InChIKey
RJOLIYHZZKAIET-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Chloro-5-hydroxybenzoic Acid
CAS: 53984-36-4
CID: 13071646
Formula: C7H5ClO3
MW: 172.56
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.56
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass171.9927217
Monoisotopic Mass171.9927217
Topological Polar Surface Area57.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity160
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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