N,N-dimethyl-5-[(4-phenylphenyl)methyl]-1H-1,2,3,4-tetrazole-1-carboxamide

• ChemBase编号: 128140
• 分子式: C17H17N5O
• 平均质量: 307.34978
• 单一同位素质量: 307.14331019
• SMILES: CN(C)C(=O)n1nnnc1Cc1ccc(cc1)c1ccccc1
• Canonical SMILES: CN(C(=O)n1nnnc1Cc1ccc(cc1)c1ccccc1)C
• InChI: InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
• InChIKey: GZNIYOXWFCDBBJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-5-[(4-phenylphenyl)methyl]-1H-1,2,3,4-tetrazole-1-carboxamide
• IUPAC传统名: N,N-dimethyl-5-[(4-phenylphenyl)methyl]-1,2,3,4-tetrazole-1-carboxamide
• 别名: LY-2183240; 1H-Tetrazole-1-carboxamide, 5-([1,1′-biphenyl]-4-ylmethyl)-N,N-dimethyl-; 5-Biphenyl-4-ylmethyl-tetrazole-1-carboxylic acid dimethylamide; LY2183240

登记号

• CAS号: 874902-19-9
• MDL号: MFCD08703123
• PubChem SID: 162222454
• PubChem CID: 11507802
• 维基百科标题: LY-2183240

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.2672813
• LogD (pH = 7.4): 2.2672813
• Log P: 2.2672813
• 摩尔折射率: 90.3578 cm^3
• 极化性: 34.412334 Å^3
• 极化表面积: 63.91 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: DMSO: >10 mg/mL

安全信息

• 保存条件: desiccated
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C17H17N5O

详细说明

Sigma Aldrich - L9044

Biochem/physiol Actions
Regioisomer 1-5 of LY2183240 is a potent inhibitor of anandamide uptake (IC50= 15 nM). The compound inhibits FAAH (IC50=2.1 nM) and some other brain serine proteases. After systemic administration to rodents, LY2182340 elevates brain anandamide levels and shows efficacy in a rodent model of persistent pain (ED50=1.37 mg/kg). Regioisomer 2-5 of LY2183240 is less active. The compound is more potent than N-(4-Hydroxyphenyl)-arachidonylamide (AM-404), which inhibits anandamide transport at IC50=1mM.