Introduction：Basic information about CAS 53984-36-4|3-Chloro-5-hydroxybenzoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
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].
Related Catalog
Signaling Pathways >>Others >>OthersResearch Areas >>Metabolic Disease
In Vitro
3-Chloro-5-hydroxybenzoic acid shows potency against human (EC50=16 μM), monkey (EC50=17 μM), dog (EC50=67 μM), rat (EC50=7 μM), mouse (EC50=22 μM), and hamster GPR81 (EC50=27 μM)[1].
In Vivo
3-Chloro-5-hydroxybenzoic acid (30, 100, and 300 mg/kg; PO in overnight fasted C57Bl6/J mice fed high fat chow for 10 weeks) shows significant reductions in free fatty acids at all doses tested, resulting in a minimum efficacious dose of 30 mg/kg[1]. Pharmacokinetic Parameters of 3-Chloro-5-hydroxybenzoic acid in Mice[1]. dose (mg/kg) tmax (h) AUCinf (h ng/mL) Cmax (ng/mL) Cmax (μM) t1/2 (h) 30 0.5 9356 11689.50 67.2 1.47 100 0.5 51312 55252.80 341.9 1.10 Animal Model: C57Bl6/J mice (DIO mice)[1] Dosage: 30, 100, and 300 mg/kg Administration: PO in overnight fasted C57Bl6/J mice fed high fat chow for 10 weeks Result: Significant reductions in nonesterified free fatty acid cholesterol (NEFAc) at all doses tested.
References
[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.
Chemical & Physical Properties
Density
1.5±0.1 g/cm3
Boiling Point
364.8±27.0 °C at 760 mmHg
Molecular Formula
C7H5ClO3
Molecular Weight
172.566
Flash Point
174.4±23.7 °C
Exact Mass
171.992722
PSA
57.53000
LogP
2.83
Vapour Pressure
0.0±0.9 mmHg at 25°C
Index of Refraction
1.630
InChIKey
RJOLIYHZZKAIET-UHFFFAOYSA-N
SMILES
O=C(O)c1cc(O)cc(Cl)c1
Safety Information
Symbol
GHS05, GHS07
Signal Word
Danger
Hazard Statements
H302-H315-H318-H335
Precautionary Statements
P261-P280-P305 + P351 + P338
RIDADR
NONH for all modes of transport
HS Code
2918290000
Customs
HS Code
2918290000
Summary
HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%
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