61966-08-3

• 常用中文名：曲西立滨磷酸酯
• 常用英文名：Phosphate Salt of Tricyclic Nucleoside
• CAS号：61966-08-3
• 分子式：C₁₃H₁₇N₆O₇P
• 分子量：400.28
• 相关类别： 信号通路 跨膜转运 ATP合成酶
• 发布时间：2018-10-17 17:38:57
• 更新时间：2026-07-14 10:40:21
• Triciribine phosphate (TCN-P) 通过变构机制抑制酰胺磷酸核糖基转移酶,影响嘌呤从头生物合成的第一个关键步骤。Triciribine phosphate 还抑制 IMP 脱氢酶,这是鸟苷核苷酸合成的第一个关键步骤。Triciribine phosphate 不影响连接酶活性。

名称

• 中文名: 曲西立滨磷酸酯
• 英文名: triciribine phosphate
• 中文别名: Triciribine phosphate 5mg试剂; 曲西立滨磷酸盐; 2H3]-磷酸曲西立滨; Triciribine phosphate 10mM * 1mL in DMSO试剂; 三环 核苷 磷酸盐
• 英文别名: NSC-280594; VQD-002 (TCN-P); (1R,2S,3R,5R)-3-(3-amino-5-Methyl-1,4,5,6,8-pentaazaacenaphthylen-1(5H)-yl)-5-(hydroxyMethyl)cyclopentane-1,2-diol; Scleol Impurity 1; 1,4,5,6,8-Pentaazaacenaphthylen-3-amine, 1,5-dihydro-5-methyl-1-(5-O-phosphono-β-D-ribofuranosyl); PTX-200; PTX200; 5-Methyl-1-(5-O-phosphono-β-D-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine; 1,4,5,6,8-Pentaazaacenaphthylene-3-amino-1,5-dihydro-5-methyl-1-beta-D-ribofuranosyl 5'-monophosphate; Triciribine 13CD3 phosphate; Triciribine phosphate (USAN); Triciribine phosphate (NSC-280594)/VQD-002,TCN; Tricyclic Nucleoside Phosphate; VQD 002; 5-Methyl-1-(5-O-phosphono-b-D-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine; 1-(5-O-Phosphono-β-D-ribofuranosyl)-5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylene-3-amine; Tricirbine Phosphate; Pentaazaacenaphthylene-5' phosphate ester; 1,5-Dihydro-5-methyl-1-(5-O-phosphono-β-D-ribofuranosyl)-1,4,5,6,8-pentaazaacenaphthylene-3-amine; VQD-002; Triciribine 5'-phosphate; Triciribine phosphate (NSC-280594); 3-Amino-1,5-dihydro-5-methyl-1-b-D-ribofuranosyl-1,4,5,6,8-pentaazaacenaphthylene 5'-(Dihydrogen Phosphate); Triciribine phosphate Sodium Salt; TCN-P

物化性质

• 密度: 2.2±0.1 g/cm3
• 沸点: 832.8±75.0 °C at 760 mmHg
• 分子式: C₁₃H₁₇N₆O₇P
• 分子量: 400.28
• 闪点: 457.4±37.1 °C
• 精确质量: 400.089630
• PSA: 200.81000
• LogP: -2.83
• 蒸汽压: 0.0±3.2 mmHg at 25°C
• 折射率: 1.925
• 计算化学:

  1.疏水参数计算参考值（XlogP）:-3.3

  2.氢键供体数量:5

  3.氢键受体数量:11

  4.可旋转化学键数量:4

  5.互变异构体数量:2

  6.拓扑分子极性表面积:189

  7.重原子数量:27

  8.表面电荷:0

  9.复杂度:663

  10.同位素原子数量:0

  11.确定原子立构中心数量:4

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

生物活性

• 描述: Triciribine phosphate (TCN-P) 通过变构机制抑制酰胺磷酸核糖基转移酶,影响嘌呤从头生物合成的第一个关键步骤。Triciribine phosphate 还抑制 IMP 脱氢酶,这是鸟苷核苷酸合成的第一个关键步骤。Triciribine phosphate 不影响连接酶活性。
• 相关类别:
  研究领域 >> 代谢疾病
  信号通路 >> 跨膜转运 >> ATP合成酶
• 参考文献:

  [1]. E C Moore, Inhibition of two enzymes in de novo purine nucleotide synthesis by triciribine phosphate (TCN-P). Biochem Pharmacol. 1989, 38, 22.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : RY8450000 CHEMICAL NAME : 1,4,5,6,8-Pentaazaacenaphthylen-3-amine, 1,5-dihydro-5-methyl-1-(5-O-phosphono-beta-D- ribofuranosyl)- CAS REGISTRY NUMBER : 61966-08-3 LAST UPDATED : 198605 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C13-H17-N6-O7-P MOLECULAR WEIGHT : 400.33 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 193 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. (Bethesda, MD 20205) Volume(issue)/page/year: JAN1986 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 109 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. (Bethesda, MD 20205) Volume(issue)/page/year: JAN1986