3-(2H3)methyl-3H-purin-6-amine

• ChemBase编号: 173233
• 分子式: C6H7N5
• 平均质量: 149.15328
• 单一同位素质量: 149.07014525
• SMILES: n1cn(c2c(c1N)ncn2)C
• Canonical SMILES: Nc1ncn(c2c1ncn2)C
• InChI: InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3
• InChIKey: FSASIHFSFGAIJM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(^2H₃)methyl-3H-purin-6-amine
• IUPAC传统名: 3-(^2H₃)methylpurin-6-amine
• 别名: 3-(Methyl-d3)-3H-purin-6-amine; 3-(Methyl-d3)-6-aminopurine; 3-(Methyl-d3)adenine; 6-Amino-3-(methyl-d3)purine; N3-(Methyl-d3)adenine; NSC 66389-d3; 3-Methyl Adenine-d3

登记号

• CAS号: 110953-39-4
• PubChem SID: 164229143
• PubChem CID: 14325434

理论计算性质

• Acid pKa: 17.300232
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -0.30869016
• LogD (pH = 7.4): -0.30735373
• Log P: -0.30733666
• 摩尔折射率: 41.496 cm^3
• 极化性: 15.18747 Å^3
• 极化表面积: 69.62 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Methanol
• 外观: White Solid
• 熔点: 310-312°C

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - M275905

Labelled 3-Methyl Adenine (M275904). 3-MA inhibits autophagy by blocking autophagosome formation via the inhibition of type III Phosphatidylinositol 3-kinases (PI-3K). For use as an autophagy inhibitor, 3-MA is typically used at a concentration of 5 mM.