ethyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5, 6-dihydropyridine-1(2H)-carboxylate | 612097-82-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: ethyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5, 6-dihydropyridine-1(2H)-carboxylate
• 英文别名: 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid ethyl ester；ethyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
• CAS: 612097-82-2
• 化学式: C₁₅H₁₇N₃O₂
• 分子量: 271.319
• InChiKey: CVYSHYLNDIHEIM-UHFFFAOYSA-N

物化性质

• 密度：
  1.275±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  58.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5, 6-dihydropyridine-1(2H)-carboxylate 在 palladium 10% on activated carbon 氢气 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 48.0h， 以54%的产率得到4-(1H-吡咯并[2,3-b]3-吡啶基)-1-哌啶羧酸乙酯
  参考文献：
  名称：

  [EN] AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS
  [FR] DERIVES D'AZAINDOLYLPIPERIDINE COMME AGENTS ANTIHISTAMINIQUES ET ANTIALLERGIQUES

  摘要：

  这项发明涉及新型H1组胺受体的高效选择性拮抗剂，其具有一般式(I)，以及它们的制备方法；包含它们的药物组合物；以及它们在治疗中的应用。

  公开号：

  WO2003082867A1
• 作为产物：
  描述：

  7-氮杂吲哚 、 N-叔丁氧羰基-4-哌啶酮 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 18.0h， 以50%的产率得到ethyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5, 6-dihydropyridine-1(2H)-carboxylate
  参考文献：
  名称：

  [EN] AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS
  [FR] DERIVES D'AZAINDOLYLPIPERIDINE COMME AGENTS ANTIHISTAMINIQUES ET ANTIALLERGIQUES

  摘要：

  这项发明涉及新型H1组胺受体的高效选择性拮抗剂，其具有一般式(I)，以及它们的制备方法；包含它们的药物组合物；以及它们在治疗中的应用。

  公开号：

  WO2003082867A1

文献信息

• 7-AZAINDOLE OR 4,7-DIAZAINDOLE DERIVATIVES AS IKK EPSILON AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME
  申请人：GREEN CROSS CORPORATION

  公开号：US20160297815A1

  公开（公告）日：2016-10-13

  Provided are 7-azaindole or 4,7-diazaindole derivatives as an IKKε (I-kappa-B kinase epsilon) and TBK1 (TANK-binding kinase 1) inhibitor. The 7-azaindole or 4,7-diazaindole derivative effectively inhibits IKKε and TBK1, and thus is useful not only as an anticancer agent for the treatment of various cancers including colorectal cancer, breast cancer, CNS cancer, colon cancer, non-small cell lung cancer, kidney cancer, prostate cancer, ovarian cancer, uterus cancer, stomach cancer, liver cancer, skin cancer, lung cancer, brain cancer, bladder cancer, esophageal cancer, pancreatic cancer, thyroid cancer, head and neck cancer, squamous cell carcinoma, osteosarcoma, B-cell or T-cell lymphoma, acute or chronic leukemia and multiple myeloma, but as a therapeutic agent for chronic inflammation.

  提供了7-氮杂吲哚或4,7-二氮杂吲哚衍生物作为IKKε（I-卡帕B激酶ε）和TBK1（TANK结合激酶1）抑制剂。7-氮杂吲哚或4,7-二氮杂吲哚衍生物有效地抑制IKKε和TBK1，因此不仅可用作抗癌剂治疗各种癌症，包括结直肠癌、乳腺癌、中枢神经系统癌、结肠癌、非小细胞肺癌、肾癌、前列腺癌、卵巢癌、子宫癌、胃癌、肝癌、皮肤癌、肺癌、脑癌、膀胱癌、食管癌、胰腺癌、甲状腺癌、头颈癌、鳞状细胞癌、骨肉瘤、B细胞或T细胞淋巴瘤、急性或慢性白血病和多发性骨髓瘤，还可作为慢性炎症的治疗剂。
• Azaindolylpiperidine derivatives as antihistaminic and antiallergic agents
  申请人：Pou Fonquerna Silvia

  公开号：US20050176751A1

  公开（公告）日：2005-08-11

  This invention is directed to selective antagonists of H 1 histamine receptors having the general formula (I); to processes for their preparation; to pharmaceutical compositions comprising them; and to their use in therapy.

  本发明涉及具有一般式（I）的选择性H1组胺受体拮抗剂，其制备过程，包含它们的药物组合物以及它们在治疗中的使用。
• 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same
  申请人：GREEN CROSS CORPORATION

  公开号：US10239873B2

  公开（公告）日：2019-03-26

  Provided are 7-azaindole or 4,7-diazaindole derivatives as an IKKε (I-kappa-B kinase epsilon) and TBK1 (TANK-binding kinase 1) inhibitor. The 7-azaindole or 4,7-diazaindole derivative effectively inhibits IKKε and TBK1, and thus is useful not only as an anticancer agent for the treatment of various cancers including colorectal cancer, breast cancer, CNS cancer, colon cancer, non-small cell lung cancer, kidney cancer, prostate cancer, ovarian cancer, uterus cancer, stomach cancer, liver cancer, skin cancer, lung cancer, brain cancer, bladder cancer, esophageal cancer, pancreatic cancer, thyroid cancer, head and neck cancer, squamous cell carcinoma, osteosarcoma, B-cell or T-cell lymphoma, acute or chronic leukemia and multiple myeloma, but as a therapeutic agent for chronic inflammation.

  本研究提供了作为 IKKε（I-kappa-B 激酶ε）和 TBK1（TANK 结合激酶 1）抑制剂的 7-氮杂吲哚或 4,7-二氮杂吲哚衍生物。胃癌、肝癌、皮肤癌、肺癌、脑癌、膀胱癌、食道癌、胰腺癌、甲状腺癌、头颈部癌、鳞状细胞癌、骨肉瘤、B 细胞或 T 细胞淋巴瘤、急性或慢性白血病和多发性骨髓瘤，但也可作为慢性炎症的治疗剂。
• AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS
  申请人：Almirall Prodesfarma, S.A.

  公开号：EP1497292A1

  公开（公告）日：2005-01-19
• US7622480B2
  申请人：——

  公开号：US7622480B2

  公开（公告）日：2009-11-24