基本情報
- CAS
59040-30-1- 標準SMILES
CC1=NN(CCOc2ccc3ccccc3c2)C(=O)C1- InChIKey
ISBUYSPRIJRBKX-UHFFFAOYSA-N- 分子式
- C16H16N2O2
- 平均分子量
- 268.31 g/mol
- 単同位体質量
- 268.12117776
概要
Nafazatrom is a pyrazolinone derivative with potential antimetastatic activities. Nafazatrom, originally developed as an antithrombotic agent, inhibits the key prostaglandin catabolic enzyme, 15-hydroxyprostaglandin dehydrogenase, which prolongs the biological half-life of prostacyclin (prostaglandin I2; PGI2) and prevents intravascular coagulation. This agent also serves as a reducing cofactor with the hydroperoxidase moiety of cyclooxygenase and accelerates the conversion of arachidonic acid into precursors of PGI2. An elevated level of PGI2 prevents aggregation of platelets; subsequently it decreases the formation of tumor cell-platelet aggregates as well as their sequestration in blood vessels, which is an important initiating step in the development of metastasis.
名称と識別子
- 優先名称
- Nafazatrom
- IUPAC
- 5-methyl-2-(2-naphthalen-2-yloxyethyl)-4H-pyrazol-3-one
- 現地名
- 2,4-ジヒドロ-5-メチル-2-[2-(2-ナフチルオキシ)エチル]-3H-ピラゾール-3-オン
- 英語名
- nafazatrom
- 分子式
- C16H16N2O2
- 分子量
- 268.31
名称と別名
NAFAZATROM59040-30-1Bay-g-6575Bay-g 6575BAY g 6575DTXSID002077942,4-Dihydro-5-methyl-2-(2-(2-naphthalenyloxy)ethyl)-3H-pyrazol-3-one3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(2-(2-naphthalenyloxy)ethyl)-K94216221BRefChem:927431DTXCID501302851-(2-(beta-naphthyloxy)ethyl)-3-methyl-2-pyrazolin-5-one
名称をさらに表示
ナファザトロム2,4-ジヒドロ-5-メチル-2-[2-(2-ナフチルオキシ)エチル]-3H-ピラゾール-3-オン2,4-ジヒドロ-5-メチル-2-[2-(2-ナフタレニルオキシ)エチル]-3H-ピラゾール-3-オン3-メチル-1-[2-(ナフタレン-2-イルオキシ)エチル]-4,5-ジヒドロ-1H-ピラゾール-5-オン2,4-Dihydro-5-methyl-2-[2-(2-naphtyloxy)ethyl]-3H-pyrazol-3-one2,4-Dihydro-5-methyl-2-[2-(2-naphthalenyloxy)ethyl]-3H-pyrazol-3-one3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-[2-(2-naphthalenyloxy)ethyl]-
3H-pyrazol-3-one,2,4-dihydro-5-methyl-2-(2-(2-naphthalenyloxy)ethyl)261-571-15-methyl-2-(2-naphthalen-2-yloxyethyl)-4H-pyrazol-3-oneNafazatromumNafazatromum [INN-Latin]Nafazatrom [INN:BAN]EINECS 261-571-1BRN 0665222
物性
構造計算による物性
- XLogP
- 2.7
- 極性表面積
- 41.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 4
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 394
実験および物理化学的性質
LogP2.74
物理化学的性質
- 沸点
- 441.5 · 441.5±47.0 °C(Predicted)
- 比重(密度)
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 3.21 · 3.21±0.50(Predicted)
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Fibrinolysin or agents that convert plasminogen to FIBRINOLYSIN.
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.
サプライヤー4 社
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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