1-[3-hydroxycyclopentyl]-3-(4-methoxyphenyl)-7-phenylamino-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-[3-hydroxycyclopentyl]-3-(4-methoxyphenyl)-7-phenylamino-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
• 英文别名: RO4383596；(+/-)-1-(trans-3-hydroxy-cyclopentyl)-3-(4-methoxy-phenyl)-7-phenylamino-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one；(+)-(1R,3R)-1-(3-hydroxy-cyclopentyl)-3-(4-methoxy-phenyl)-7-phenylamino-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one；7-anilino-1-[(1R,3R)-3-hydroxycyclopentyl]-3-(4-methoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one
• 化学式: C₂₄H₂₅N₅O₃
• 分子量: 431.494
• InChiKey: NDEFXZOKPREYOV-WOJBJXKFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  90.8
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-[(1R,3R)-3-(tert-Butyl-dimethyl-silanyloxy)-cyclopentyl]-3-(4-methoxy-phenyl)-7-phenylamino-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one 在 三氟乙酸 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 0.5h， 以86%的产率得到1-[3-hydroxycyclopentyl]-3-(4-methoxyphenyl)-7-phenylamino-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
  参考文献：
  名称：

  RO4383596, an orally active KDR, FGFR, and PDGFR inhibitor: Synthesis and biological evaluation

  摘要：

  (+/-)-1-(anti-3-羟基环戊基)-3-(4-甲氧基苯基)-7-苯基氨基-3,4-二氢-1H-吡咯并[4,5-d]嘧啶-2-酮（RO4383596）是一种高效且选择性作用于促血管生成的受体酪氨酸激酶KDR、FGFR和PDGFR的抑制剂。该药物具有优异的药代动力学特性，并且在啮齿类血管生成模型中表现出显著的疗效。© 2005 Elsevier Ltd. 保留所有权利。

  DOI：

  10.1016/j.bmc.2005.05.012

文献信息

• Pyrimido compounds having antiproliferative activity
  申请人：——

  公开号：US20040204427A1

  公开（公告）日：2004-10-14

  Disclosed are novel pyrimido compounds that are selective inhibitors of both KDR and FGFR 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, lung and prostate tumors. Also disclosed are pharmaceutical compositions containing these compounds and methods of treating cancer.

  公开了新型的嘧啶化合物，它们是对KDR和FGFR激酶的选择性抑制剂。这些化合物及其药用可接受的盐类是抗增殖剂，在治疗或控制实体瘤，特别是乳腺癌、结肠癌、肺癌和前列腺癌中是有用的。还公开了含有这些化合物的药物组合物和治疗癌症的方法。
• [EN] PYRIMIDO COMPOUNDS<br/>[FR] COMPOSES PYRIMIDO
  申请人：HOFFMANN LA ROCHE

  公开号：WO2004089955A1

  公开（公告）日：2004-10-21

  Disclosed are novel pyrimido compounds of the formula (I) that are selective inhibitors of both KDR and FGFR 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, lung and prostate tumors. Also disclosed are pharmaceutical compositions containing these compounds and the use for treating cancer.

  本发明涉及一种新型的嘧啶衍生物，其化学式为（I），这些衍生物是选择性抑制剂，可以抑制KDR和FGFR激酶。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、肺和前列腺肿瘤。本发明还涉及包含这些化合物的制药组合物和用于治疗癌症的用途。
• EP1615928A1
  申请人：——

  公开号：EP1615928A1

  公开（公告）日：2006-01-18
• METHODS AND MATERIALS FOR IDENTIFYING AND TREATING CANCERS HAVING ELEVATED LEVELS OF PHOSPHORYLATED UBIQUITIN
  申请人：Mayo Foundation for Medical Education and Research

  公开号：US20210373023A1

  公开（公告）日：2021-12-02

  This document provides methods and materials involved in identifying mammals (e.g., humans) having cancer cells with an elevated level of phosphorylated Ub polypeptides (e.g., an elevated level of Y59 phosphorylated Ub polypeptides). For example, methods and materials for detecting the presence of cancer cells having an elevated level of Y59 phosphorylated Ub polypeptides are provided.
• US7115740B2
  申请人：——

  公开号：US7115740B2

  公开（公告）日：2006-10-03