4-氯-7H-吡咯并[2,3-d]嘧啶-5-胺 | 1092352-49-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 中文名称: 4-氯-7H-吡咯并[2,3-d]嘧啶-5-胺
• 英文名称: 4-Chloro-7H-pyrrolo[2,3-D]pyrimidin-5-amine
• CAS: 1092352-49-2
• 化学式: C₆H₅ClN₄
• mdl: MFCD11518921
• 分子量: 168.58
• InChiKey: KAUCHHKKEDFVMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  67.6
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 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
• 包装等级：
  III

文献信息

• Pyrrolo[2,3-d]pyrimidine compounds
  申请人：——

  公开号：US20020019526A1

  公开（公告）日：2002-02-14

  A compound of the formula 1 wherein R 1 , R 2 and R 3 are as defined above, which are inhibitors of the enzyme protein tyrosine kinases such as Janus Kinase 3 and as such are useful therapy as immunosuppressive agents for organ transplants, lupus, multiple sclerosis, rheumatoid arthritis, psoriasis, Type I diabetes and complications from diabetes, cancer, asthma, atopic dermatitis, autoimmune thyroid disorders, ulcerative colitis, Crohn's disease, Alzheimer's disease, Leukemia and other autoimmune diseases.

  一种化合物的结构式，其中R1、R2和R3如上所定义，它们是蛋白酪氨酸激酶的抑制剂，如Janus激酶3，因此可作为免疫抑制剂用于器官移植、狼疮、多发性硬化、类风湿性关节炎、牛皮癣、1型糖尿病和糖尿病并发症、癌症、哮喘、特应性皮炎、自身免疫性甲状腺疾病、溃疡性结肠炎、克罗恩病、阿尔茨海默病、白血病和其他自身免疫疾病的治疗。
• Method of treatment of atherosclerosis
  申请人：Changelian S. Paul

  公开号：US20050113395A1

  公开（公告）日：2005-05-26

  A method of treating or preventing atherosclerosis comprising administering a compound of the formula wherein R 1 , R 2 and R 3 are as defined above.

  一种治疗或预防动脉粥样硬化的方法，包括给予一个符合以下公式的化合物，其中R1、R2和R3如上定义。
• Method of treatment of transplant rejection
  申请人：Pfizer Inc

  公开号：US20040116449A1

  公开（公告）日：2004-06-17

  A method of treating or preventing chronic organ transplant rejection comprising administering a compound of the formula 1 wherein R 1 , R 2 and R 3 are as defined above.

  一种治疗或预防器官移植慢性排异反应的方法，包括给予以下式子中R1、R2和R3如上定义的化合物1。
• Chiral salt resolution
  申请人：——

  公开号：US20030073719A1

  公开（公告）日：2003-04-17

  A method for resolving enantiomers of a compound containing the structure of the formula: 1 wherein R 4 or R 5 may contain one or more asymmetric centers, by mixing a racemic mixture of enantiomers of a compound, containing the structure of said formula; in a solvent, with a resolving compound having a defined stereospecificity, to form a solution and with said resolving agent being capable of binding with at least one but not all of said enantiomers to form a precipitate, containing said at least one of said enantiomers in stereospecific form and collecting either the precipitate and purifying it or collecting the solution with contained other of said enantiomers and recrystallizing the enantiomer contained in said solution.

  一种用于分离具有公式1结构的化合物的对映体的方法，其中R4或R5可能包含一个或多个不对称中心，通过将具有公式所述化合物的对映体的混合物与具有定义的立体特异性的分离剂在溶剂中混合，形成溶液，并且所述分离剂能够与至少一个但不是全部的对映体结合形成沉淀，其中所述沉淀包含所述至少一个对映体的立体特异性形式，并收集沉淀并纯化它或收集溶液和所含的其他对映体并重结晶所含的对映体。
• Pyrrolo[2,3-D]pyrimidine compounds
  申请人：Blumenkopf A. Todd

  公开号：US20050288313A1

  公开（公告）日：2005-12-29

  A compound of the formula wherein R 1 , R 2 and R 3 are as defined above, which are inhibitors of the enzyme protein kinases such as Janus Kinase 3 and as such are useful therapy as immunosuppressive agents for organ transplants, xeno transplation, lupus, multiple sclerosis, rheumatoid arthritis, psoriasis, Type I diabetes and complications from diabetes, cancer, asthma, atopic dermatitis, autoimmune thyroid disorders, ulcerative colitis, Crohn's disease, Alzheimer's disease, Leukemia and other autoimmune diseases.

  该化合物的化学式为其中R1、R2和R3如上所定义，它们是蛋白激酶（如Janus Kinase 3）的抑制剂，因此可用作免疫抑制剂治疗器官移植、异种移植、狼疮、多发性硬化症、类风湿性关节炎、银屑病、1型糖尿病及糖尿病并发症、癌症、哮喘、特应性皮炎、自身免疫性甲状腺疾病、溃疡性结肠炎、克罗恩病、阿尔茨海默病、白血病和其他自身免疫性疾病的治疗。