基本情報
- CAS
66000-40-6- 標準SMILES
NC1=NN(c2cccc(C(F)(F)F)c2)CC1- InChIKey
CPXGGWXJNQSFEP-UHFFFAOYSA-N- 分子式
- C10H10F3N3
- 平均分子量
- 229.2 g/mol
- 単同位体質量
- 229.08268182
概要
A dual inhibitor of both cyclooxygenase and lipoxygenase pathways. It exerts an anti-inflammatory effect by inhibiting the formation of prostaglandins and leukotrienes. The drug also enhances pulmonary hypoxic vasoconstriction and has a protective effect after myocardial ischemia.
名称と識別子
- 優先名称
- 4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine
- IUPAC
- 2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine
- 現地名
- 4,5-ジヒドロ-3-アミノ-1-[3-(トリフルオロメチル)フェニル]-1H-ピラゾール
- 英語名
- 4,5-dihydro-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
- 分子式
- C10H10F3N3
- 分子量
- 229.2017096
名称と別名
66000-40-6BW 755CBW-755CBW755C4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine4,5-DIHYDRO-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOL-3-AMINE6V6JF56BXODTXSID302162131H-Pyrazol-3-amine, 4,5-dihydro-1-(3-(trifluoromethyl)phenyl)-RefChem:388753DTXCID30138704266-051-8
名称をさらに表示
3-アミノ-1-[m-(トリフルオロメチル)フェニル]-2-ピラゾリン4,5-ジヒドロ-1-[3-(トリフルオロメチル)フェニル]-1H-ピラゾール-3-アミン化合物BW-755C1-[3-(トリフルオロメチル)フェニル]-2-ピラゾリン-3-アミン4,5-ジヒドロ-3-アミノ-1-[3-(トリフルオロメチル)フェニル]-1H-ピラゾール1-[3-(トリフルオロメチル)フェニル]-4,5-ジヒドロ-1H-ピラゾール-3-アミンCGS-13592BW 755C, 10 mM in DMSO3-amino-1--2-pyrazoline1H-Pyrazol-3-amine, 4,5-dihydro-1-[3-(trifluoromethyl)phenyl]-
1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazol-3-amine2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amineCHEMBL2746423-Amino-1-(3-(trifluoromethyl)phenyl)-2-pyrazoline1-(3-(trifluoromethyl)phenyl)-4,5-dihydro-1H-pyrazol-3-amine1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-ylamineUNII-6V6JF56BXOEINECS 266-051-8
物性
構造計算による物性
- XLogP
- 1.8
- 極性表面積
- 41.6 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 1
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 288
物理化学的性質
- 沸点
- 308.5 · 308.5±52.0 °C(Predicted)
- 比重(密度)
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- 30 mg/ml · ≤30mg/ml in ethanol;30mg/ml in DMSO;25mg/ml in dimethyl formamide
- 外見
- crystalline solid
- 酸解離定数(Pka)
- 2.57 · 2.57±0.70(Predicted)
- 色
- Brown to reddish brown
化学と産業
薬理情報
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Compounds that bind to and inhibit that enzymatic activity of LIPOXYGENASES. Included under this category are inhibitors that are specific for lipoxygenase subtypes and act to reduce the production of LEUKOTRIENES.
Compounds or agents that combine with cyclooxygenase (PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES) and thereby prevent its substrate-enzyme combination with arachidonic acid and the formation of eicosanoids, prostaglandins, and thromboxanes.
サプライヤー19 社
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
Aladdin Scientific[email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences
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