trisodium dihydrate ({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)(hydrogen phosphonatooxy)phosphinate

• ChemBase编号: 137639
• 分子式: C9H16N2Na3O17P3
• 平均质量: 586.117133
• 单一同位素质量: 585.9354898
• SMILES: c1cn(c(=O)[nH]c1=O)[C@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)O.O.O.[Na+].[Na+].[Na+]
• Canonical SMILES: O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)[O-])[O-])[O-])O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O.O.O.[Na+].[Na+].[Na+]
• InChI: InChI=1S/C9H15N2O15P3.3Na.2H2O/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;;;;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18);;;;2*1H2/q;3*+1;;/p-3/t4-,6-,7-,8-;;;;;/m1...../s1
• InChIKey: KIYVKLDQLQZXKH-GTIFRNKBSA-K

名称和登记号

名称

• IUPAC标准名: trisodium dihydrate ({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)(hydrogen phosphonatooxy)phosphinate
• IUPAC传统名: trisodium dihydrate utp trianion
• 别名: 尿苷-5′-三磷酸酯 三钠盐 二水合物; UTP; Uridine 5′-triphosphate trisodium salt dihydrate

登记号

• CAS号: 116295-90-0
• EC号: 243-347-5
• MDL号: MFCD00150714
• Beilstein号: 3585234
• PubChem SID: 162231901; 24889990
• PubChem CID: 16218792

理论计算性质

• Acid pKa: 0.8952817
• 质子受体: 12
• 质子供体: 4
• LogD (pH = 5.5): -10.059212
• LogD (pH = 7.4): -10.794819
• Log P: -3.382405
• 摩尔折射率: 81.8192 cm^3
• 极化性: 34.772614 Å^3
• 极化表面积: 267.41 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: >140 °C (dec.)(lit.)
• 闪点: 113 °C; 235 °F

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 1; 3
• 危险公开号: 20/21/22-68/20/21/22
• 安全公开号: 36/37
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

药理学性质

• 相关基因信息: human ... P2RY2(5029)rat ... P2ry2(29597)

产品相关信息

• 纯度: ≥80%
• 杂质: ≤15% UDP; ≤5% ethyl alcohol; ≤5% UMP
• 运输包装: wet ice
• 线性分子式: C9H12N2O15P3Na3

详细说明

Sigma Aldrich - 94370

Biochem/physiol Actions
P2Y 受体激动剂。
Application
Uridine 5′-diphosphate (UDP) and Uridine 5′-triphosphate (UTP) may be used in studies on nucleic acid (RNA) biosynthesis and cell signaling. UDP is a nucleotide that upon phosphorylation to UTP becomes a substrate for enzymes such as RNA polymerase(s) and GTPases. These enzymes are involved in a wide range of applications from the synthesis of RNA to the regulation of G-coupled Protein Receptors (GPCR) and cell signaling molecules such as Rho-signaling via Guanine Nucleotide Exchange Factors (GEF).

Sigma Aldrich - 852139

Biochem/physiol Actions
P2Y 受体激动剂。
Other Notes
含甲醇