3-甲基-1H-吡唑-5-甲酸

3-甲基-1H-吡唑-5-甲酸用途

AS057278是一种有效、选择性、口服活性和血脑屏障(BBB)渗透性非肽D-氨基酸氧化酶(DAAO)抑制剂,IC50值为0.91μM,EC50为2.2-3.95μM。AS057278可使苯环利定(PCP)诱导的小鼠预脉冲抑制正常化。AS057278可用于研究精神分裂症[1]。

3-甲基-1H-吡唑-5-甲酸名称

[ CAS 号 ]:
402-61-9

[ 中文名 ]:
5-甲基-1H-吡唑-3-羧酸

[ 英文名 ]:
5-Methyl-1H-pyrazole-3-carboxylic acid

[中文别名 ]:

[英文别名 ]:

5-Methyl-1H-pyrazole-3-carboxylic acid
MFCD00462235
3-Methyl-1H-pyrazole-5-carboxylic acid
AS057278 5-Methylpyrazole-3-carboxylic acid MPC

3-甲基-1H-吡唑-5-甲酸生物活性

[ 描述 ]:

[ 相关类别 ]:

信号通路 >> 其他 >> 其他

研究领域 >> 神经疾病

[ 靶点 ]

IC50: 0.91 μM (DAAO)[1]

[体内研究]

AS057278(PO；每日20毫克/千克,连续28天；单次80毫克/千克)使苯环利定(PCP)诱导的预脉冲抑制正常化[1]。AS057278(10 mg/kg；PO和IV；单次给药)具有良好的药代动力学效应[1]。AS057278在雄性Sprague-Dawley大鼠体内的药代动力学参数【1】。IV(10 mg/kg)PO(10 mg/kg)C0(ng/mL)100557.3 Cmax(ng/mL)73559.8 8088.8 tmax(h)0.083 1 CZ(ng/mL)26.8 40.5 tZ(h)24 24 AUCZ(ng/mL·h)45596.2 18254.4λZ(h^-1)0.124 0.096 AUC(ng/mL·h)45810.9 18649.9 VZ(L/kg)1.76 VSS(L/kg)0.24 CL(L/kg h)0.22 MRT(h)1.087 F 0.407动物模型：雄性C57BL/6J小鼠【1】剂量：80 mg/kg,20 mg/kg给药：PO；每天20毫克/千克,持续28天；80 mg/kg单剂量结果：小鼠急性(80 mg/kg)和慢性(20 mg/kg b.i.d.)口服给药后,正常化苯环利定(PCP)诱导的预脉冲抑制。动物模型：雄性Sprague-Dawley大鼠【1】剂量：10 mg/kg给药：PO和IV；单次给药(药代动力学分析)结果：具有良好的药代动力学效应。

[参考文献]

[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.

3-甲基-1H-吡唑-5-甲酸物理化学性质

[ 密度 ]:
1.404g/cm3

[ 沸点 ]:
388.8ºC at 760mmHg

[ 熔点 ]:
241 °C

[ 分子式 ]:
C₅H₆N₂O₂

[ 分子量 ]:
126.11

[ 闪点 ]:
188.9ºC

[ 精确质量 ]:
126.04300

[ PSA ]:
65.98000

[ LogP ]:
0.41630

[ 外观性状 ]:
固体;White to Yellow to Orange powder to crystal

[ 折射率 ]:
1.595

[ 储存条件 ]:
2~8°C

3-甲基-1H-吡唑-5-甲酸MSDS

详细MSDS(安全技术说明书)

3-甲基-1H-吡唑-5-甲酸毒性和生态

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

3-甲基-1H-吡唑-5-甲酸安全信息

[ 个人防护装备 ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ 危害码 (欧洲) ]:
Xi:Irritant;

[ 风险声明 (欧洲) ]:
R36/37/38

[ 安全声明 (欧洲) ]:
S26-S37/39

[ 危险品运输编码 ]:
NONH for all modes of transport

[ WGK德国 ]:
3

[ RTECS号 ]:
UQ6407500

[ 海关编码 ]:
2933199090

3-甲基-1H-吡唑-5-甲酸合成路线

详细合成路线

3-甲基-1H-吡唑-5-甲酸上下游产品

3-甲基-1H-吡唑-5-甲酸上游产品

3-甲基-1H-吡唑-5-甲酸下游产品

3-甲基-1H-吡唑-5-甲酸海关

[ 海关编码 ]: 2933199090

[ 中文概述 ]:
2933199090. 其他结构上有非稠合吡唑环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

[ 申报要素 ]: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

[ 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%

3-甲基-1H-吡唑-5-甲酸文献

Changes in the plasma concentrations of D-kynurenine and kynurenic acid in rats after intraperitoneal administration of tryptophan enantiomers.

Chirality 22 , 901-916, (2010)

An aqueous solution of enantiomerically pure tryptophan (Trp), namely, D-Trp or L-Trp (100 mg/kg), was administered intraperitoneally to male Sprague-Dawley rats. The time-course profiles of the rat p...

A series of D-amino acid oxidase inhibitors specifically prevents and reverses formalin-induced tonic pain in rats.

J. Pharmacol. Exp. Ther. 336 , 282-293, (2011)

We have found that mutation of D-amino acid oxidase (DAO) diminished formalin-induced tonic pain. The present research further studied the analgesic effects of a series of DAO inhibitors in this model...

In vitro and in vivo pharmacological profile of AS057278, a selective d-amino acid oxidase inhibitor with potential anti-psychotic properties.

Eur. Neuropsychopharmacol. 18(3) , 200-14, (2008)

Non-competitive N-methyl-d-aspartate (NMDA) blockers induce schizophrenic-like behavior in healthy volunteers and exacerbate symptomatology in schizophrenic patients. Hence, a compound able to enhance...

更多文献