4-CYCLOPENTYLAMINO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBONITRILE

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-CYCLOPENTYLAMINO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBONITRILE
• 英文别名: 4-Cyclopentylamino-2-methylsulfanylpyrimidine-5-carbonitrile；4-(cyclopentylamino)-2-methylsulfanylpyrimidine-5-carbonitrile
• 化学式: C₁₁H₁₄N₄S
• 分子量: 234.325
• InChiKey: HJEICQFETFKTLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  86.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-CYCLOPENTYLAMINO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBONITRILE 在 2-(Phenylsulfonyl)-3-phenyloxaziridin 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 以62.3%的产率得到4-CYCLOPENTYLAMINO-2-METHANESULFONYL-PYRIMIDINE-5-CARBONITRILE
  参考文献：
  名称：

  [EN] 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION
  [FR] HETEROCYCLES 2-AMINOPYRIDINES SUBSTITUES UTILISES COMME INHIBITEURS DE LA PROLIFERATION CELLULAIRE

  摘要：

  本发明提供了式（I）的取代2-氨基吡啶化合物，其中R1、A1、W、X和Y如规范中定义，可用于治疗细胞增殖性疾病。本发明的新化合物是cyclin-dependent kinases 4（Cdk4）的有效抑制剂。

  公开号：

  WO2004065378A1
• 作为产物：
  描述：

  环戊胺 、 4-氯-2-甲硫基嘧啶-5-腈 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以99%的产率得到4-CYCLOPENTYLAMINO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBONITRILE
  参考文献：
  名称：

  [EN] 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION
  [FR] HETEROCYCLES 2-AMINOPYRIDINES SUBSTITUES UTILISES COMME INHIBITEURS DE LA PROLIFERATION CELLULAIRE

  摘要：

  本发明提供了式（I）的取代2-氨基吡啶化合物，其中R1、A1、W、X和Y如规范中定义，可用于治疗细胞增殖性疾病。本发明的新化合物是cyclin-dependent kinases 4（Cdk4）的有效抑制剂。

  公开号：

  WO2004065378A1

文献信息

• Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation
  申请人：——

  公开号：US20040044012A1

  公开（公告）日：2004-03-04

  This invention provides bicyclic heterocycles that are useful for treating cell proliferative disorders, such as cancer and restenosis, as well as angiogenesis and atherosclerosis. We have now discovered a group of bicyclic compounds that are potent inhibitors of cyclin-dependent kinases (cdks), growth factor-mediated kinases, and non-receptor kinases. The compounds are readily synthesized and can be administered by a variety of routes, including orally, and have sufficient bioavailability for clinical use. This invention provides compounds of Formula I: 1 where Z is N or CH; G is N or CH; W is NH, S, SO, or SO 2 , R 1 includes phenyl and substituted phenyl, R 2 includes alkyl and cycloalkyl, R 3 includes alkyl and hydrogen, R 8 and R 9 include hydrogen and alkyl, and the pharmaceutically acceptable salts thereof. This invention also provides pharmaceutical formulations comprising a compound of Formula I together with a pharmaceutically acceptable carrier, diluent, or excipient therefor.

  本发明提供了一种双环杂环化合物，用于治疗细胞增殖紊乱，如癌症和再狭窄，以及血管生成和动脉粥样硬化。我们已经发现了一组双环化合物，它们是周期蛋白依赖性激酶（cdks）、生长因子介导的激酶和非受体激酶的强效抑制剂。这些化合物易于合成，可以通过包括口服在内的多种途径给药，并且具有足够的生物利用度，适用于临床使用。本发明提供的化合物如公式I所示： 1 其中 Z是N或CH； G是N或CH； W是NH、S、SO或SO2； R1包括苯基和取代苯基， R2包括烷基和环烷基， R3包括烷基和氢， R8和R9包括氢和烷基，以及药用可接受的盐。 本发明还提供了包含公式I化合物的药物制剂，以及药用可接受的载体、稀释剂或辅料。
• Pyrimidinyl pyridone inhibitors of kinases
  申请人：Brookfield Frederick

  公开号：US20090270389A1

  公开（公告）日：2009-10-29

  This application discloses novel pyrimidinyl pyridone derivatives according to formula I, wherein A, R 1 , R 2 , R 3 , and m are defined as described herein, which inhibit JNK. The compounds disclosed herein are useful to modulate the activity of JNK and treat diseases associated with excessive JNK activity. The compounds are useful to treat autoimmune, inflammatory, metabolic, and neurological diseases as well as cancer. Also disclosed are compositions comprising the compound of formula I and methods of treatment comprising administering a therapeutically effective amount of the compound of formula I to a subject in need thereof.

  该申请披露了根据式I的新型嘧啶基吡啶酮衍生物，其中A、R1、R2、R3和mare如本文所述定义，这些衍生物抑制JNK。本文披露的化合物可用于调节JNK的活性，并治疗与过度JNK活性相关的疾病。这些化合物可用于治疗自身免疫、炎症、代谢和神经系统疾病以及癌症。还披露了包含式I化合物的组合物以及包括向需要的受试者投与式I化合物的治疗方法。
• 2-Aminopyridine substituted heterocycles
  申请人：Pfizer Inc

  公开号：US20040236084A1

  公开（公告）日：2004-11-25

  The present invention provides substituted 2-aminopyridines of formula I, wherein R 1 , A 1 , W, X, and Y are as defined in the specification, useful in treating cell proliferative disorders. The novel compounds of the present invention are potent inhibitors of cyclin-dependent kinases 4 (Cdk4) 1

  本发明提供了式I的取代2-氨基吡啶，其中R1、A1、W、X和Y如规范中所定义，可用于治疗细胞增殖性疾病。本发明的新化合物是Cyclin-dependent kinases 4 (Cdk4)的有效抑制剂。
• Bicyclic pyrimidines and bicyclic 3,4-dihydropyprimidines as inhibitors of cellular proliferation
  申请人：Warner Lambert Company

  公开号：US07501425B1

  公开（公告）日：2009-03-10

  This invention provides substituted pyrimido-pyrimidines that are useful for treating cell proliferative disorders, such as cancer and restenosis, as well as angiogenesis and atherosclerosis. The invention compounds have Formula I: where W is NH, S, SO, or SO2, R1 includes alkyl, cycloalkyl, phenyl, substituted phenyl, heteroaryl and substituted heteroaryl; R2 includes alkyl, cycloalkyl, phenyl and substituted phenyl; R3 includes alkyl and aryl such as phenyl and substituted phenyl; R8 and R9 include hydrogen and alkyl, and the pharmaceutically acceptable salts thereof. The invention also provides pharmaceutical formulations comprising a compound of Formula I together with a pharmaceutically acceptable carrier, diluent, or excipient therefor, and a method for treating angiogenesis using said compounds.

  本发明提供了用于治疗细胞增殖性疾病，如癌症和再狭窄，以及血管生成和动脉粥样硬化的取代嘧啶-嘧啶类化合物。该发明化合物具有式I：其中W为NH、S、SO或SO2，R1包括烷基、环烷基、苯基、取代苯基、杂环芳基和取代杂环芳基；R2包括烷基、环烷基、苯基和取代苯基；R3包括烷基和芳基，如苯基和取代苯基；R8和R9包括氢和烷基，以及其药学上可接受的盐。本发明还提供了包括式I化合物的药物配方，以及用于治疗血管生成的方法，其中所述化合物与药学上可接受的载体、稀释剂或辅料一起使用。
• BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP1080092A2

  公开（公告）日：2001-03-07