5-ethyl-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase编号: 133123
• 分子式: C11H16N2O5
• 平均质量: 256.25514
• 单一同位素质量: 256.10592162
• SMILES: CCc1cn(c(=O)[nH]c1=O)C1CC(C(O1)CO)O
• Canonical SMILES: OCC1OC(CC1O)n1cc(CC)c(=O)[nH]c1=O
• InChI: InChI=1S/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)
• InChIKey: XACKNLSZYYIACO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-ethyl-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC传统名: edoxudine
• 别名: Edoxudine; 5-Ethyl-2′-deoxyuridine; EUdR

登记号

• CAS号: 15176-29-1
• EC号: 239-226-1
• MDL号: MFCD00079191
• PubChem SID: 162227400; 24894696
• PubChem CID: 1814

理论计算性质

• Acid pKa: 9.953265
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): -0.67450005
• LogD (pH = 7.4): -0.6756842
• Log P: -0.6744849
• 摩尔折射率: 60.013 cm^3
• 极化性: 23.815998 Å^3
• 极化表面积: 99.1 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• RTECS编号: YU7500000
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

详细说明

Sigma Aldrich - E9386

Linkage
Homolog of thymidine
Application
5-Ethyl-2′-deoxyuridine (EUdR) is used as a 5-fluorouracil (FU) modulator. EtdUrd may be used to enhance the therapeutic index of 5-FU by reducing the catabolism, prolonging the plasma and intratumoral concentrations of 5-FU, and offering protection to normal organs by increasing the endogenous uridine levels.