pyridin-3-ylmethyl-[5-(1H-pyrrolo-[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]amine | 1210437-63-0

• 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: pyridin-3-ylmethyl-[5-(1H-pyrrolo-[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]amine
• 英文别名: N-(pyridin-3-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
• CAS: 1210437-63-0
• 化学式: C₁₅H₁₂N₆O
• 分子量: 292.3
• InChiKey: HKISDSMKRWOKGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  92.5
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,2,2-三氯-1-(1H-吡咯并[2,3-b]吡啶-3-基)-乙酮 在 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 、 肼 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 pyridin-3-ylmethyl-[5-(1H-pyrrolo-[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]amine
  参考文献：
  名称：

  The optimization of aminooxadiazoles as orally active inhibitors of Cdc7

  摘要：

  A series of aminooxadiazoles was optimized for inhibition of Cdc7. Early lead isoquinoline 1 suffered from modest cell potency (cellular IC50 = 0.71 mu M measuring pMCM2), low selectivity against structurally related kinases, and high IV clearance in rats (CL = 18 L/h/kg). Extensive optimization resulted in azaindole 26 (Cdc7 IC50 = 1.1 nM, pMCM2 IC50 = 32 nM) that demonstrated robust lowering of pMCM2 in a mouse pharmacodynamic (PD) model when dosed orally. Modifications to improve the pharmacokinetic profile of this series were guided by trapping experiments with glutathione in rat hepatocytes. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.09.055

文献信息

• 7-AZAINDOLE DERIVATIVES
  申请人：Klein Markus

  公开号：US20110166175A1

  公开（公告）日：2011-07-07

  Novel 7-azaindole derivatives of the formula (I), in which U, L, R, Y, X 1 , X 2 and X 3 have the meanings indicated in Claim 1 ), are kinase inhibitors and can be used for the treatment of diseases and conditions such as diabetes, obesity, metabolic syndrome (dyslipidaemia), systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, generally in any type of fibroses, inflammatory processes, tumours and tumour diseases.

  小说7-氮杂吲哚衍生物的化学式（I），其中U、L、R、Y、X1、X2和X3具有声明中指示的含义，是激酶抑制剂，可用于治疗疾病和病况，如糖尿病、肥胖症、代谢综合征（血脂异常）、系统性和肺动脉高压、心血管疾病和肾脏疾病，通常在任何类型的纤维化、炎症过程、肿瘤和肿瘤疾病中。
• 7-AZAINDOLE DERIVATIVES SUITABLE FOR TREATMENT OF CANCERS
  申请人：Heinrich Timo

  公开号：US20140187551A1

  公开（公告）日：2014-07-03

  Compounds of the formula (I) in which R 1 , R 2 and R 3 have the meanings indicated in Claim 1 , are inhibitors of PDK1 and cell proliferation/cell vitality and can be employed treatment of tumours.

  公式（I）中R1，R2和R3的含义如权利要求1所示的化合物是PDK1和细胞增殖/细胞活力的抑制剂，可用于治疗肿瘤。
• 7-AZAINDOLDERIVATE
  申请人：Merck Patent GmbH

  公开号：EP2303879B1

  公开（公告）日：2012-09-05
• Zur Behandlung von Krebserkrankungen geeignete 7-Azaindolderivate
  申请人：Merck Patent GmbH

  公开号：EP2723736B1

  公开（公告）日：2015-08-05
• US8466170B2
  申请人：——

  公开号：US8466170B2

  公开（公告）日：2013-06-18