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402-61-9

402-61-9 structure
402-61-9 structure
  • Name: 5-Methyl-1H-pyrazole-3-carboxylic acid
  • Chemical Name: 5-methyl-pyrazole-3-carboxylic acid
  • CAS Number: 402-61-9
  • Molecular Formula: C5H6N2O2
  • Molecular Weight: 126.11
  • Catalog: Research Areas Neurological Disease
  • Create Date: 2018-09-10 21:39:18
  • Modify Date: 2024-01-02 19:19:34
  • 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].
Name 5-methyl-pyrazole-3-carboxylic acid
Synonyms 5-Methyl-1H-pyrazole-3-carboxylic acid
MFCD00462235
3-Methyl-1H-pyrazole-5-carboxylic acid
AS057278 5-Methylpyrazole-3-carboxylic acid MPC
Description 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
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.
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
Storage condition 2~8°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ6407500
CHEMICAL NAME :
Pyrazole-3-carboxylic acid, 5-methyl-
CAS REGISTRY NUMBER :
402-61-9
BEILSTEIN REFERENCE NO. :
0002906
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C5-H6-N2-O2
MOLECULAR WEIGHT :
126.13

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 27,295,1964
Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xi:Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S37/39
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS UQ6407500
HS Code 2933199090
HS Code 2933199090
Summary 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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