CAS Number402-61-9
Synonyms5-Methyl-1H-pyrazole-3-carboxylic acid; MFCD00462235; 3-Methyl-1H-pyrazole-5-carboxylic acid; AS057278 5-Methylpyrazole-3-carboxylic acid MPC
Molecular FormulaC5H6N2O2
Molecular Weight126.11
Purity98.00%
Density1.404g/cm3
Boiling Point388.8ºC at 760mmHg
Melting Point236-240 °C (lit.)
Appearancewhite solid
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 402-61-9 |
| Catalog No. | 2A-9021733 |
| Chinese Name | 3-甲基-1H-吡唑-5-甲酸 |
| Synonyms | 5-Methyl-1H-pyrazole-3-carboxylic acid; MFCD00462235; 3-Methyl-1H-pyrazole-5-carboxylic acid; AS057278 5-Methylpyrazole-3-carboxylic acid MPC |
| Molecular Formula | C5H6N2O2 |
| Molecular Weight | 126.11 |
| Purity | 98.00 |
| Density | 1.404g/cm3 |
| Boiling Point | 388.8ºC at 760mmHg |
| Melting Point | 236-240 °C (lit.) |
| Appearance | white solid |
| Storage Condition | 2~8°C |
| Application | AS057278 is a potent, selective, orally active and blood-brain barrier (BBB) permeable non-peptide D-amino acid oxidase (DAAO) inhibitor with an IC50 value of 0.91μM and an EC50 of 2.2-3.95μM. AS057 |
| HTC | 2933199090 |
| MDL Number | MFCD00462235 |
| SMILES | Cc1cc([nH]n1)C(O)=O |
| InChI | 1S/C5H6N2O2/c1-3-2-4(5(8)9)7-6-3/h2H,1H3,(H,6,7)(H,8,9) |
| InChI Key | WSMQKESQZFQMFW-UHFFFAOYSA-N |
| NACRES Code | NA.28 |
| UNSPSC | 12352100 |
| Hazard Symbols | Transport |
| MSDS | msds/21733_1_402_61_9.pdf |
| Bioactivity | AS057278 is a potent, selective, orally active and blood-brain barrier (BBB) penetrant non-peptidic D-amino acid oxidase (DAAO) inhibitor with an IC50 value of 0.91 μM and EC50 of 2.2-3.95 μM. AS057278 can normalize phencyclidine (PCP)-induced prepulse inhibition in mice. AS057278 can be used for researching schizophrenia[1]. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Neurological Disease Target IC50: 0.91 μM (DAAO)[1] In Vivo AS057278 (PO; 20 mg/kg b.i.d for 28 days; 80 mg/kg single dosage) normalizes phencyclidine (PCP)-induced prepulse inhibition[1]. AS057278 (10 mg/kg; PO and IV; single dosage) exhibits good pharmacokinetic effects[1]. Pharmacokinetic Parameters of AS057278 in male Sprague-Dawley rats[1]. IV (10 mg/kg) PO (10 mg/kg) C0 (ng/mL) 100,557.3 Cmax (ng/mL) 73,559.8 8088.8 tmax (h) 0.083 1 CZ (ng/mL) 26.8 40.5 tZ (h) 24 24 AUCZ (ng/mL·h) 45,596.2 18,254.4 λZ (h^-1) 0.124 0.096 AUC (ng/mL·h) 45,810.9 18,649.9 VZ (L/kg) 1.76 VSS (L/kg) 0.24 CL (L/kg/h) 0.22 MRT (h) 1.087 F 0.407 Animal Model: Males C57BL/6J mice[1] Dosage: 80 mg/kg, 20 mg/kg Administration: PO; 20 mg/kg b.i.d for 28 days; 80 mg/kg single dosage Result: Normalized phencyclidine (PCP)-induced prepulse inhibition after acute (80 mg/kg) and chronic (20 mg/kg b.i.d.) oral administration in mice. Animal Model: Male Sprague-Dawley rats[1] Dosage: 10 mg/kg Administration: PO and IV; single dosage (Pharmacokinetics Analysis) Result: Exhibited good pharmacokinetic effect. References [1]. Adage T, et al. In vitro and in vivo pharmacological profile of AS057278, a selective d-amino acid oxidase inhibitor with potential anti-psychotic properties. Eur Neuropsychopharmacol. 2008;18(3):200-214. Chemical & Physical Properties Density 1.404g/cm3 Boiling Point 388.8ºC at 760mmHg Melting Point 241 °C Molecular Formula C5H6N2O2 Molecular Weight 126.11 Flash Point 188.9ºC Exact Mass 126.04300 PSA 65.98000 LogP 0.41630 Index of Refraction 1.595 InChIKey WSMQKESQZFQMFW-UHFFFAOYSA-N SMILES Cc1cc(C(=O)O)n[nH]1 Storage condition 2~8°C |
| Use of | Properties Articles15 Name 5-methyl-pyrazole-3-carboxylic acid Synonym More Synonyms 5-Methyl-1H-pyrazole-3-carboxylic acid Biological Activity Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Neurological Disease IC50: 0.91 μM (DAAO)[1] References [1]. Adage T, et al. In vitro and in vivo pharmacological profile of AS057278, a selective d-amino acid oxidase inhibitor with potential anti-psychotic properties. Eur Neuropsychopharmacol. 2008;18(3):200-214. Chemical & Physical Properties Molecular Formula C5H6N2O2 Exact Mass 126.04300 PSA 65.98000 LogP 0.41630 Index of Refraction 1.595 InChIKey WSMQKESQZFQMFW-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| 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. |
| Related Products in Heterocyclic Building Blocks | ||
|---|---|---|
| 8-Fluoroquinoline | 394-68-3 | 2A-9021673 |
| 6-Fluoroquinoline | 396-30-5 | 2A-9021680 |
| 4,4,4-Trifluoro-1-(pyridine-4-yl)butane-1,3-dione | 399-06-4 | 2A-9021684 |
| 4-Fluoroindole-2-carboxylic acid | 399-68-8 | 2A-9021690 |
| 2-Chloro-6-fluorobenzothiazole | 399-74-6 | 2A-9021692 |
| 2-Fluoropyridine-6-carboxylic acid | 402-69-7 | 2A-9021738 |
| Methyl 2-fluoropyridine-3-carboxylate | 446-26-4 | 2A-9021896 |
| 7-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoline | 450-62-4 | 2A-9021917 |
| 2-Aminopurine | 452-06-2 | 2A-9021927 |
| 2-Fluoro-5-nitropyridine | 456-24-6 | 2A-9021996 |
| Browse all Heterocyclic Building Blocks products » | ||
Phone:
630-322-8886
630-322-8887
Email:
Office Locations:
Chicago, IL, USA
San Francisco, CA, USA
EN
SDS