1-(4-methylamino-2-methylsulfanyl-pyrimidin-5-yl)-ethanol | 686758-79-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1-(4-methylamino-2-methylsulfanyl-pyrimidin-5-yl)-ethanol
• 英文别名: 1-[4-(methylamino)-2-methylsulfanylpyrimidin-5-yl]ethanol
• CAS: 686758-79-2
• 化学式: C₈H₁₃N₃OS
• 分子量: 199.277
• InChiKey: BKHRQTIABXDSBT-UHFFFAOYSA-N

物化性质

• 沸点：
  388.6±32.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  83.3
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(4-methylamino-2-methylsulfanyl-pyrimidin-5-yl)-ethanol 在 manganese(IV) oxide 、 sodium hydride 作用下， 生成 5,8-dimethyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one
  参考文献：
  名称：

  Structure–activity relationships for 2-anilino-6-phenylpyrido[2,3-d]pyrimidin-7(8H)-ones as inhibitors of the cellular checkpoint kinase Wee1

  摘要：

  A series of 2-anilino-6-phenylpyrido[2,3-d]-alpyrimidin-7(8H)-ones were synthesized and evaluated for their inhibitory properties against the non-receptor kinase c-Src and the G2/M checkpoint kinase Weel. Overall, the compounds were 10-100-fold more potent inhibitors of c-Src than Weel, and variation of substituents on the 6-phenyl ring did not markedly alter this preference. Solubilizing substituents off the 2-anilino ring in many cases increased Wee I activity, thus lowering this preference to about 10-fold. 5-Alkyl substituted analogs were generally Weel selective, but at the expense of absolute potency. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.01.079
• 作为产物：
  描述：

  甲基溴化镁 、 4-甲胺基-2-甲硫基-5-醛基嘧啶 以 四氢呋喃 、 乙醚 为溶剂， 反应 27.0h， 生成 1-(4-methylamino-2-methylsulfanyl-pyrimidin-5-yl)-ethanol
  参考文献：
  名称：

  Amino-substituted dihydropyrimido[4,5-D]pyrimidinone derivatives

  摘要：

  描述了化学式I1的化合物。这些化合物是蛋白激酶抑制剂，特别是它们抑制src家族酪氨酸激酶。因此，这些化合物对于治疗由src酪氨酸激酶介导的疾病，包括癌症等细胞增殖性疾病，具有用途。还描述了制备和使用化学式I的化合物的方法，以及含有这些化合物的药物组合物。

  公开号：

  US20040087600A1

文献信息

• [EN] PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY (II)<br/>[FR] COMPOSES PYRIMIDO PRESENTANT UNE ACTIVITE ANTI-PROLIFERATIVE (II)
  申请人：HOFFMANN LA ROCHE

  公开号：WO2004041821A1

  公开（公告）日：2004-05-21

  Disclosed are novel pyrimido compounds of the formula (I) wherein R1 to R9 are as defined in the specification, that are selective inhibitors of the Src family of tyrosine kinases. These compounds and their pharmaceutically acceptable salts are anti-proliferative agents useful in the treatment or control of solid tumors, in particular breast, colon, hepatic and pancreatic tumors. Also disclosed are pharmaceutical compositions containing these compounds and the use for treating cancer.

  本发明涉及式(I)的新型嘧啶化合物，其中R1至R9如规范定义，它们是选择性抑制Src家族酪氨酸激酶的抑制剂。这些化合物及其药学上可接受的盐是抗增殖剂，可用于治疗或控制实体瘤，特别是乳腺、结肠、肝和胰腺肿瘤。本发明还涉及含有这些化合物的药物组合物以及用于治疗癌症的用途。
• Pyrimido compounds having antiproliferative activity
  申请人：——

  公开号：US20040110773A1

  公开（公告）日：2004-06-10

  Disclosed are novel pyrimido compounds that are inhibitors of Src family of tyrosine kinases. These compounds and their pharmaceutically acceptable salts are anti-proliferative agents useful in the treatment or control of solid tumors, in particular breast, colon, hepatic and pancreatic tumors. Also disclosed are pharmaceutical compositions containing these compounds and methods of treating cancer.

  本发明涉及一种新的嘧啶化合物，其为Src家族酪氨酸激酶的抑制剂。这些化合物及其药学上可接受的盐是抗增殖剂，可用于治疗或控制实体瘤，特别是乳腺癌、结肠癌、肝癌和胰腺癌。本发明还涉及含有这些化合物的药物组合物和治疗癌症的方法。
• PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY (II)
  申请人：F. Hoffmann-La Roche AG

  公开号：EP1560829A1

  公开（公告）日：2005-08-10
• NOVEL AMINO-SUBSTITUTED DIHYDROPYRIMIDO [4,5-D] PYRIMIDIN ONE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP1560831A1

  公开（公告）日：2005-08-10
• US7091345B2
  申请人：——

  公开号：US7091345B2

  公开（公告）日：2006-08-15