2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4-ol dihydrochloride

• ChemBase编号: 132581
• 分子式: C7H13Cl2N5O
• 平均质量: 254.11702
• 单一同位素质量: 253.04971542
• SMILES: CC1CNc2c(c(nc(n2)N)O)N1.Cl.Cl
• Canonical SMILES: CC1CNc2c(N1)c(O)nc(n2)N.Cl.Cl
• InChI: InChI=1S/C7H11N5O.2ClH/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5;;/h3,10H,2H2,1H3,(H4,8,9,11,12,13);2*1H
• InChIKey: MKQLORLCFAZASZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4-ol dihydrochloride
• IUPAC传统名: 2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4-ol dihydrochloride
• 别名: 6-MPH4; DL-2-Amino-4-hydroxy-6-methyl-5,6,7,8-tetrahydropteridine dihydrochloride; (±)-6-Methyl-5,6,7,8-tetrahydropterine dihydrochloride

登记号

• CAS号: 69113-63-9
• MDL号: MFCD00058175
• Beilstein号: 5648114
• PubChem SID: 24896941; 162226858
• PubChem CID: 16219657

理论计算性质

• Acid pKa: 13.321375
• 质子受体: 6
• 质子供体: 4
• LogD (pH = 5.5): -0.025842153
• LogD (pH = 7.4): -0.024466492
• Log P: -0.024448402
• 摩尔折射率: 52.814 cm^3
• 极化性: 17.432838 Å^3
• 极化表面积: 96.09 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ~95% (TLC); ≥98.0% (HPLC)
• Empirical Formula (Hill Notation): C7H11N5O · 2HCl

详细说明

Sigma Aldrich - M4758

Application
6-MPH4 is used to study mechanisms of nitric oxide (NO) synthase and free radical induced L-DOPA release from striatal tissue.
Biochem/physiol Actions
Synthetic cofactor for tyrosine hydrolase; also cofactor for phenylalanine and tryptophan hydroxylases; less activity than the natural cofactor, BH4