| Chemical & Physical Properties | |
|---|---|
| CAS Number | 53984-36-4 |
| Catalog No. | 2A-9044096 |
| Chinese Name | 3-氯-5-羟基苯甲酸 |
| Synonyms | 3-Chloro-5-hydroxybenzoic acid |
| Molecular Formula | C7H5ClO3 |
| Molecular Weight | 157.36 |
| Purity | ≥95 |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 364.8±27.0 °C at 760 mmHg |
| Melting Point | 255-260 °C |
| Appearance | solid |
| Storage Condition | room temperature |
| Application | 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. In obese mouse models, 3-chloro-5-hydroxybenzoic acid has |
| HTC | 2918290000 |
| PubChem ID | 329763814 |
| MDL Number | MFCD06798243 |
| SMILES | OB(O)c1cncc(Cl)c1 |
| InChI | 1S/C5H5BClNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3,9-10H |
| InChI Key | NJXYBTMCTZAUEE-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352103 |
| Hazard Symbols | transportation |
| MSDS | msds/44096_1_53984_36_4.pdf |
| Bioactivity | 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 >> Others Research 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 |
| Use of | 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]. Properties Name 3-Chloro-5-hydroxybenzoic acid Synonym More Synonyms 3-Chloro-5-hydroxybenzoic acid Biological Activity 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]. Related Catalog Signaling Pathways >> Others >> Others Research 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]. 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 Exact Mass 171.992722 PSA 57.53000 Index of Refraction 1.630 InChIKey RJOLIYHZZKAIET-UHFFFAOYSA-N |
| Tax Rebate | 9.0% |
| Supervision | A. Customs clearance form for inbound goods B. Customs clearance form for outbound goods |
| Inspection | R. Hygiene supervision and inspection of imported food S. Hygiene supervision and inspection of exported food |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available The above information is believed to be correct, but is not all-inclusive and should be used as a guide only. The information in this document is based on our current knowledge and is Correct safety instructions apply to this product. This information does not represent a warranty as to the properties of this product. See reverse side of invoice or packing slip. |
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