4-氯-2-甲基吡啶并[3,4-d]嘧啶 | 101900-98-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 中文名称: 4-氯-2-甲基吡啶并[3,4-d]嘧啶
• 英文名称: 2-methyl-4-chloropyrido<3,4-d>pyrimidine
• 英文别名: 4-Chloro-2-methylpyrido[3,4-d]pyrimidine
• CAS: 101900-98-5
• 化学式: C₈H₆ClN₃
• 分子量: 179.609
• InChiKey: AAEIBEFIEMQBRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090
• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P261,P264,P270,P271,P280,P302+P352,P304+P340,P310,P330,P361,P403+P233,P405,P501
• 危险品运输编号：
  2811
• 危险性描述：
  H301,H311,H331

反应信息

• 作为反应物：
  描述：

  4-氨基-1-丁醇 、 4-氯-2-甲基吡啶并[3,4-d]嘧啶 在 三乙胺 作用下， 以 乙醇 为溶剂， 以71%的产率得到4-[(2-Methylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
  参考文献：
  名称：

  Preparation and structure-activity relationships of 4-substituted amino-2-methylpyrido[3,4-d]pyrimidines as cytokinin analogs

  摘要：

  Various 4-substituted amino derivatives of 2-methylpyrido[3,4-d]pyrimidine were prepared to investigate their structure-cytokinin activity relationships. Both an Amaranthus betacyanin and a lettuce seed germination bioassay revealed that most anilino and some alkylamino derivatives were active, whereas benzylamino derivatives were inactive, indicating that the new cytokinin analogs differ from N-6-adenines in their substituent effects on the activity. The most active was a m-fluoroanilino derivative, which was as potent as N-6-benzyladenine in a tobacco callus bioassay. 2-Alkyl substituents smaller or larger than a methyl group reduced the activity.

  DOI：

  10.1021/jf00052a035
• 作为产物：
  描述：

  2-甲基-3H,4H-吡啶并[3,4-d]嘧啶-4-酮 在 N,N-二甲基苯胺 、 三氯氧磷 作用下， 以 苯 为溶剂， 反应 18.0h， 以45%的产率得到4-氯-2-甲基吡啶并[3,4-d]嘧啶
  参考文献：
  名称：

  Nishikawa, Shiro; Kumazawa, Zenzaburo; Kashimura, Naoki, Agricultural and Biological Chemistry, 1986, vol. 50, # 2, p. 495 - 498

  摘要：

  DOI：

文献信息

• HISTONE DEMETHYLASE INHIBITORS
  申请人：Celgene Quanticel Research, Inc.

  公开号：US20160194323A1

  公开（公告）日：2016-07-07

  The present invention relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted pyrido[3,4-d]pyrimidin-4-one derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition of histone demethylase. Furthermore, the subject compounds and compositions are useful for the treatment of cancer, such as prostate cancer, breast cancer, bladder cancer, lung cancer, melanoma, and the like.

  本发明涉及治疗癌症和肿瘤疾病的组合物和方法。本文提供了取代的吡啶并[3,4-d]嘧啶-4-酮衍生物化合物及包含该化合物的制药组合物。所述化合物和组合物对组蛋白去甲基化酶的抑制具有用途。此外，所述化合物和组合物对治疗癌症，如前列腺癌，乳腺癌，膀胱癌，肺癌，黑色素瘤等具有用途。
• Histone demethylase inhibitors
  申请人：Celgene Quanticel Research, Inc.

  公开号：US10030017B2

  公开（公告）日：2018-07-24

  The present invention relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted pyrido[3,4-d]pyrimidin-4-one derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition of histone demethylase. Furthermore, the subject compounds and compositions are useful for the treatment of cancer, such as prostate cancer, breast cancer, bladder cancer, lung cancer, melanoma, and the like.

  本发明一般涉及治疗癌症和肿瘤性疾病的组合物和方法。本发明提供了取代的吡啶并[3,4-d]嘧啶-4-酮衍生物化合物和包含所述化合物的药物组合物。所述化合物和组合物可用于抑制组蛋白去甲基化酶。此外，所述化合物和组合物还可用于治疗癌症，如前列腺癌、乳腺癌、膀胱癌、肺癌、黑色素瘤等。
• Nishikawa, Shiro; Kumazawa, Zenzaburo; Kashimura, Naoki, Agricultural and Biological Chemistry, 1986, vol. 50, # 9, p. 2243 - 2250
  作者：Nishikawa, Shiro、Kumazawa, Zenzaburo、Kashimura, Naoki、Nishimiki, Yoshio、Uemura, Shoji

  DOI：——

  日期：——
• Nishikawa, Shiro; Kumazawa, Zenzaburo; Kashimura, Naoki, Agricultural and Biological Chemistry, 1986, vol. 50, # 2, p. 495 - 498
  作者：Nishikawa, Shiro、Kumazawa, Zenzaburo、Kashimura, Naoki、Maki, Shinji、Nishikimi, Yoshio

  DOI：——

  日期：——
• NISHIKAWA, SHIRO;KUMAZAWA, ZENZABURO;KASHIMURA, NAOKI;MAKI, SHINJI;NISHIK+, AGR. AND BIOL. CHEM., 1986, 50, N 2, 495-497
  作者：NISHIKAWA, SHIRO、KUMAZAWA, ZENZABURO、KASHIMURA, NAOKI、MAKI, SHINJI、NISHIK+

  DOI：——

  日期：——