3-(3,4-二氢喹啉-1(2H)-基)-2-氧代丙酸乙酯 | 152712-44-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 3-(3,4-二氢喹啉-1(2H)-基)-2-氧代丙酸乙酯
• 英文名称: 3-(3,4-dihydro-2H-quinolin-1-yl)-2-oxopropionic acid ethyl ester
• 英文别名: ethyl3-(3,4-dihydroquinolin-1(2H)-yl)oxopropanoate；ethyl 3-(3,4-dihydroquinolin-1(2H)-yl)-2-oxopropanoate；ethyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2-oxopropanoate
• CAS: 152712-44-2
• 化学式: C₁₄H₁₇NO₃
• 分子量: 247.294
• InChiKey: NGXHDIFRFPQYPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(3,4-二氢喹啉-1(2H)-基)-2-氧代丙酸乙酯 以47的产率得到5,6-二氢-4H-吡咯并[3,2,1-ij]喹啉-1-羧酸乙酯
  参考文献：
  名称：

  COMBINATIONAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER

  摘要：

  本发明提供了一种治疗细胞增殖性疾病（如癌症）的方法，通过向需要治疗的受试者施用一种吡咯喹啉基吡咯-2,5-二酮化合物或吡咯喹啉基吡咯啶-2,5-二酮化合物的治疗有效剂量，结合一种第二个抗增殖剂的治疗有效剂量。

  公开号：

  US20100297075A1
• 作为产物：
  描述：

  1,2,3,4-四氢喹啉 、 3-溴丙酮酸乙酯 生成 3-(3,4-二氢喹啉-1(2H)-基)-2-氧代丙酸乙酯
  参考文献：
  名称：

  COMBINATIONAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER

  摘要：

  本发明提供了一种治疗细胞增殖性疾病（如癌症）的方法，通过向需要治疗的受试者施用一种吡咯喹啉基吡咯-2,5-二酮化合物或吡咯喹啉基吡咯啶-2,5-二酮化合物的治疗有效剂量，结合一种第二个抗增殖剂的治疗有效剂量。

  公开号：

  US20100297075A1

文献信息

• [EN] PURINE DERIVATIVES AS KINASE INHIBITORS<br/>[FR] DERIVES DE LA PURINE EN TANT QU'INHIBITEURS DE LA KINASE
  申请人：LILLY CO ELI

  公开号：WO2003076442A1

  公开（公告）日：2003-09-18

  The present invention provides kinase inhibitors of Formula I.

  本发明提供了化合物I的激酶抑制剂。
• Agents and methods for the treatment of proliferative diseases
  申请人：——

  公开号：US20030229026A1

  公开（公告）日：2003-12-11

  The present invention provides selective kinase inhibitors of formula (I). 1

  这项发明提供了式（I）的选择性激酶抑制剂。
• [EN] TRICYCLIC 1-[(3-INDOL-3-YL)CARBONYL] PIPERAZINE DERIVATIVES AS CANNABINOID CB1 RECEPTOR AGONISTS<br/>[FR] DERIVES TRICYCLIQUES DE PIPERAZINE 1-[(3-INDOL-3-YL)CARBONYL] UTILES EN TANT QU'AGONISTES DU RECEPTEUR CANNABINOIDE CB1
  申请人：AKZO NOBEL NV

  公开号：WO2005058327A1

  公开（公告）日：2005-06-30

  The invention relates to tricyclic 1-[(indol-3-yl)carbonyl]piperazine derivative having the general Formula (I) wherein X is CH2, O or S; R represents 1-3 substituents independently selected from H, (C1-4)alkyl, (C1-4)alkyloxy and halogen; R1 is (C5-8)cycloalkyl; R2 is H or (C1-4)alkyl; R3, R3´, R4’ R4’, R5, R5’ and R6’ are independently hydrogen or (C1-4)-alkyl, optionally substituted with (C1-4)alkyloxy, OH or halogen; R6 is hydrogen or (C1-4)alkyl, optionally substituted with (C1-4)alkyloxy, OH or halogen; or R6 forms together with R7 a 4-7 membered saturated heterocyclic ring, optionally containing a further heteroatom selected from O and S; R7 forms together with R6 a 4-7 membered saturated heterocydic ring, optionally containing a further heteroatom selected from O and S; or R7 is H, (C1-4)alkyl or (C3-5)cycloalkyl, the alkyl groups being optionally substituted with OH, halogen or (C1-4)alkyloxy; or a pharmaceutically acceptable salt thereof. The invention also relates to pharmaceutical compositions comprising said tricyclic 1-[(indol-3-yl)carbonyl]piperazine derivatives, and to the use of these derivatives in the treatment of pain, such as peri-operative pain, chronic pain neuropathic pain, cancer pain, and pain and spasticity associated with multiple sclerosis.

  该发明涉及具有通式（I）的三环1-[(吲哚-3-基)羰基]哌嗪衍生物，其中X为CH2、O或S；R代表1-3个取自H、(C1-4)烷基、(C1-4)烷氧基和卤素的取代基；R1为(C5-8)环烷基；R2为H或(C1-4)烷基；R3、R3'、R4'、R4'、R5、R5'和R6'独立地为氢或(C1-4)烷基，可选地取代为(C1-4)烷氧基、OH或卤素；R6为氢或(C1-4)烷基，可选地取代为(C1-4)烷氧基、OH或卤素；或R6与R7一起形成一个含有O和S等进一步杂原子的4-7元饱和杂环；R7与R6一起形成一个含有O和S等进一步杂原子的4-7元饱和杂环；或R7为H、(C1-4)烷基或(C3-5)环烷基，烷基基团可选地取代为OH、卤素或(C1-4)烷氧基；或其药学上可接受的盐。该发明还涉及包含所述三环1-[(吲哚-3-基)羰基]哌嗪衍生物的药物组合物，并且涉及在治疗疼痛，如围手术疼痛、慢性疼痛、神经痛、癌症疼痛以及与多发性硬化相关的疼痛和痉挛中使用这些衍生物。
• METHOD FOR PRODUCING TRICYCLIC HETEROCYCLIC COMPOUND
  申请人：DAIICHI SANKYO COMPANY, LIMITED

  公开号：US20160137644A1

  公开（公告）日：2016-05-19

  It is an object of the present invention to provide a method for producing a high-purity tricyclic heterocyclic compound represented by formula (I), which is useful as a production intermediate for a pharmaceutical agent, wherein the method is an efficient production method with short steps and with a high yield, which does not use, as raw materials, expensive bromopyruvate and highly harmful copper chromite, and does not need silica gel column chromatography that generates, as by-products, large quantities of waste. The present invention relates to production of Compound (I) by the following method.

  本发明的目的是提供一种用作制药中间体的高纯度三环杂环化合物的生产方法，该方法是一种高效的生产方法，步骤简短，产率高，不使用昂贵的溴丙酮和高度有害的铜铬酸盐作为原料，并且不需要产生大量废物的硅胶柱层析色谱法。本发明涉及通过以下方法生产化合物（I）。
• [EN] HIGHLY PURE PYRROLOQUINOLINYL-PYRROLE-2,5-DIONE AND PYRROLOQUINOLINYL-PYRROLIDINE-2,5-DIONE AND METHODS OF PREPARING SAME<br/>[FR] PYRROLOQUINOLINYL-PYRROLE-2,5-DIONE ET PYRROLOQUINOLINYL-PYRROLIDINE-2,5-DIONE DE PURETÉ ÉLEVÉE ET LEURS PROCÉDÉS DE PRÉPARATION
  申请人：ARQULE INC

  公开号：WO2013162714A1

  公开（公告）日：2013-10-31

  The present invention relates to highly-pure pyrroloquinolinyl-pyrrole-2,5-dione and pyrroloquinolinyl-pyrrolidine-2,5-dione, for example, 3-(5,6-dihydro-4H-pyrrolo[3,2,l-ij]quinolin-l- yl)-4-(lH-indol-3-yl)-lH-pyrrole-2,5-dione, 3-(5,6-dihydro-4H-pyrrolo[3,2,l-ij]quinolin-l-yl)-4-(lH- indol-3-yl)pyrrolidine-2,5-dione, and pharmaceutically acceptable salts, solvates, and diastereomers thereof. The present invention also relates to methods for preparing highly-pure pyrroloquinolinyl- pyrrole-2,5-dione and pyrroloquinolinyl-pyrrolidine-2,5-dione, for example, 3-(5,6-dihydro-4H- pyrrolo[3,2,l-ij]quinolin-l-yl)-4-(lH-indol-3-yl)-lH-pyrrole-2,5-dione, 3-(5,6-dihydro-4H- pyrrolo[3,2,l-ij]quinolin-l-yl)-4-(lH-indol-3-yl)pyrrolidine-2,5-dione, and pharmaceutically acceptable salts, solvates, and diastereomers thereof.

  本发明涉及高纯度吡咯并喹啉基吡咯-2,5-二酮和吡咯并喹啉基吡咯烷-2,5-二酮，例如3-(5,6-二氢-4H-吡咯[3,2,l-ij]喹啉-1-基)-4-(1H-吲哚-3-基)-1H-吡咯-2,5-二酮，3-(5,6-二氢-4H-吡咯[3,2,l-ij]喹啉-1-基)-4-(1H-吲哚-3-基)吡咯烷-2,5-二酮，以及其药学上可接受的盐，溶剂化合物和对映体。本发明还涉及制备高纯度吡咯并喹啉基吡咯-2,5-二酮和吡咯并喹啉基吡咯烷-2,5-二酮的方法，例如3-(5,6-二氢-4H-吡咯[3,2,l-ij]喹啉-1-基)-4-(1H-吲哚-3-基)-1H-吡咯-2,5-二酮，3-(5,6-二氢-4H-吡咯[3,2,l-ij]喹啉-1-基)-4-(1H-吲哚-3-基)吡咯烷-2,5-二酮，以及其药学上可接受的盐，溶剂化合物和对映体的方法。