N,N-diethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

• ChemBase编号: 155063
• 分子式: C10H15N5
• 平均质量: 205.2596
• 单一同位素质量: 205.13274551
• SMILES: CCN(CC)c1cc(nc2n1ncn2)C
• Canonical SMILES: CCN(c1cc(C)nc2n1ncn2)CC
• InChI: InChI=1S/C10H15N5/c1-4-14(5-2)9-6-8(3)13-10-11-7-12-15(9)10/h6-7H,4-5H2,1-3H3
• InChIKey: GSNOZLZNQMLSKJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-diethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• IUPAC传统名: trapidil
• 别名: AR 12008; Avantrin; N,N-diethyl-5-methyl-[1,2,4]Triazolo[1,5-a]pyrimidin-7-amine; Rocornal; Trapymin; Trapymine; Trapidil

登记号

• CAS号: 15421-84-8
• EC号: 239-434-2
• MDL号: MFCD00193104
• PubChem SID: 162249201
• PubChem CID: 5531

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.2548602
• LogD (pH = 7.4): 1.2548734
• Log P: 1.2548735
• 摩尔折射率: 71.3755 cm^3
• 极化性: 21.788668 Å^3
• 极化表面积: 46.32 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: ≥15 mg/mL
• 外观: white to tan powder

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C10H15N5

详细说明

Sigma Aldrich - SML0071

Biochem/physiol Actions
Trapidil is an antiplatelet agent that acts in part as a phosphodiesterase inhibitor and as a competitive inhibitor of the platelet-derived growth factor (PDGF) receptor. Trapidil, with its vasodilator and NO releasing effect may have some potential to diminish the tissue injury. Trapidil suppresses platelet-derived growth factor (PDGF)-induced vascular smooth muscle cell (VSMC) proliferation by inhibiting Raf-1/extracellular signal-regulated kinase (ERK) via cAMP/protein kinase A (PKA). In addn. to cAMP/PKA activation, trapidil inhibits RhoA/ROCK activation.