5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylic acid | 1039740-70-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylic acid
• CAS: 1039740-70-9
• 化学式: C₉H₉NO₃S
• 分子量: 211.241
• InChiKey: PDHSGHBISAYFOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  85.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylic acid 在 盐酸 、 甲醇 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.75h， 生成
  参考文献：
  名称：

  [EN] SPIROCYCLIC CONTAINING COMPOUNDS AND PHARMACEUTICAL USES THEREOF
  [FR] COMPOSÉS CONTENANT DES SPIROCYCLIQUES ET LEURS UTILISATIONS PHARMACEUTIQUES

  摘要：

  本发明涉及一种新型的共价激酶抑制剂家族，该类化合物已发现对TEC激酶家族的成员，特别是ITK和/或TXK，BTK，TEC和/或其组合具有抑制活性。本发明涉及一种具有I式结构的化合物或其药学上可接受的盐、溶剂、盐的溶剂体、立体异构体、互变异构体、同位素、前药、复合物或其生物活性代谢物，用于治疗。

  公开号：

  WO2018032104A1
• 作为产物：
  描述：

  5-溴噻吩-2-甲酸乙酯 在 copper(l) iodide 、 水 、 potassium carbonate 、 sodium hydroxide 、 N,N'-二甲基乙二胺 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 生成 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylic acid
  参考文献：
  名称：

  [EN] SPIROCYCLIC CONTAINING COMPOUNDS AND PHARMACEUTICAL USES THEREOF
  [FR] COMPOSÉS CONTENANT DES SPIROCYCLIQUES ET LEURS UTILISATIONS PHARMACEUTIQUES

  摘要：

  本发明涉及一种新型的共价激酶抑制剂家族，该类化合物已发现对TEC激酶家族的成员，特别是ITK和/或TXK，BTK，TEC和/或其组合具有抑制活性。本发明涉及一种具有I式结构的化合物或其药学上可接受的盐、溶剂、盐的溶剂体、立体异构体、互变异构体、同位素、前药、复合物或其生物活性代谢物，用于治疗。

  公开号：

  WO2018032104A1

文献信息

• CONDENSED PYRIDINE COMPOUND
  申请人：Shirakami Shohei

  公开号：US20100105661A1

  公开（公告）日：2010-04-29

  The present invention provides a compound having excellent JAK3 inhibitory activity and being useful as an active ingredient of an agent for treating and/or preventing various immune diseases including autoimmune diseases, inflammatory diseases, and allergic diseases. As a result of investigations with respect to novel condensed heterocyclic derivatives, the inventors have verified that a condensed pyridine compound has excellent JAK3 inhibitory activity, thereby completing the present invention. More specifically, it has been verified that since the compound according to the present invention has inhibitory activity against JAK3, the compound is useful as an active ingredient of an agent for treating or preventing diseases caused by undesirable cytokine signal transduction (e.g., rejection during live organ/tissue transplantation, autoimmune diseases, asthma, atopic dermatitis, rheumatism, psoriasis and atherosclerotic disease), or diseases caused by abnormal cytokine signal transduction (e.g., cancer and leukemia).

  本发明提供了一种具有出色JAK3抑制活性的化合物，可作为治疗和/或预防各种免疫疾病，包括自身免疫性疾病、炎症性疾病和过敏性疾病的药剂的有效成分。通过对新型紧缩杂环衍生物的研究，发明人已经验证，紧缩吡啶化合物具有出色的JAK3抑制活性，从而完成了本发明。更具体地说，已经验证，由于本发明的化合物具有对JAK3的抑制活性，因此该化合物可用作治疗或预防由不良细胞因子信号转导引起的疾病（例如，在活体器官/组织移植期间的排斥反应、自身免疫性疾病、哮喘、特应性皮炎、风湿病、牛皮癣和动脉粥样硬化疾病），或由异常细胞因子信号转导引起的疾病（例如癌症和白血病）的有效成分。
• Spirocyclic containing compounds and pharmaceutical uses thereof
  申请人：GB005, Inc.

  公开号：US10752615B2

  公开（公告）日：2020-08-25

  The present invention relates to a novel family of covalent kinases inhibitors, compounds of this class have been found to have inhibitory activity against members of the TEC kinase family, particularly ITK and/or TXK, BTK, TEC and/or combinations thereof. The present invention is directed to a compound of Formula I or pharmaceutically acceptable salt, solvate, solvates of salt, stereoisomer, tautomer, isotope, prodrug, complex or biologically active metabolite thereof, for use in therapy.

  本发明涉及一种新型的共价激酶抑制剂家族，已发现该类化合物对TEC激酶家族成员，特别是ITK和/或TXK、BTK、TEC和/或其组合具有抑制活性。本发明涉及一种用于治疗的式I化合物或其药学上可接受的盐、溶解物、盐的溶解物、立体异构体、同分异构体、同位素、原药、复合物或生物活性代谢物。
• EP2123651
  申请人：——

  公开号：——

  公开（公告）日：——
• SPIROCYCLIC CONTAINING COMPOUNDS AND PHARMACEUTICAL USES THEREOF
  申请人：GB005, Inc.

  公开号：US20190263790A1

  公开（公告）日：2019-08-29

  The present invention relates to a novel family of covalent kinases inhibitors, compounds of this class have been found to have inhibitory activity against members of the TEC kinase family, particularly ITK and/or TXK, BTK, TEC and/or combinations thereof. The present invention is directed to a compound of Formula I or pharmaceutically acceptable salt, solvate, solvates of salt, stereoisomer, tautomer, isotope, prodrug, complex or biologically active metabolite thereof, for use in therapy.
• [EN] SPIROCYCLIC CONTAINING COMPOUNDS AND PHARMACEUTICAL USES THEREOF<br/>[FR] COMPOSÉS CONTENANT DES SPIROCYCLIQUES ET LEURS UTILISATIONS PHARMACEUTIQUES
  申请人：PHARMASCIENCE INC

  公开号：WO2018032104A1

  公开（公告）日：2018-02-22

  The present invention relates to a novel family of covalent kinases inhibitors, compounds of this class have been found to have inhibitory activity against members of the TEC kinase family, particularly ITK and/or TXK, BTK, TEC and/or combinations thereof. The present invention is directed to a compound of Formula I or pharmaceutically acceptable salt, solvate, solvates of salt, stereoisomer, tautomer, isotope, prodrug, complex or biologically active metabolite thereof, for use in therapy.

  本发明涉及一种新型的共价激酶抑制剂家族，该类化合物已发现对TEC激酶家族的成员，特别是ITK和/或TXK，BTK，TEC和/或其组合具有抑制活性。本发明涉及一种具有I式结构的化合物或其药学上可接受的盐、溶剂、盐的溶剂体、立体异构体、互变异构体、同位素、前药、复合物或其生物活性代谢物，用于治疗。