N-((3S,4R)-1-benzyl-4-(4-methoxyphenyl)pyrrolidin-3-yl)-3-((1-methyl-1H-pyrazol-5-yl)amino)isoquinoline-6-carboxamide | 1574397-05-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: N-((3S,4R)-1-benzyl-4-(4-methoxyphenyl)pyrrolidin-3-yl)-3-((1-methyl-1H-pyrazol-5-yl)amino)isoquinoline-6-carboxamide
• 英文别名: N-[(3S,4R)-1-benzyl-4-(4-methoxyphenyl)pyrrolidin-3-yl]-3-[(2-methylpyrazol-3-yl)amino]isoquinoline-6-carboxamide
• CAS: 1574397-05-9
• 化学式: C₃₂H₃₂N₆O₂
• 分子量: 532.645
• InChiKey: KOYUVFNZHRMXQT-URLMMPGGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  84.3
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-fluoroisoquinoline-6-carboxylic acid 在 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.5h， 生成 N-((3S,4R)-1-benzyl-4-(4-methoxyphenyl)pyrrolidin-3-yl)-3-((1-methyl-1H-pyrazol-5-yl)amino)isoquinoline-6-carboxamide
  参考文献：
  名称：

  SERINE/THREONINE KINASE INHIBITORS

  摘要：

  具有公式I的化合物，其中R2、X和Z如本文所定义，是ERK激酶的抑制剂。还披露了用于治疗过度增殖性疾病的组合物和方法。

  公开号：

  US20140066453A1

文献信息

• Serine/threonine kinase inhibitors
  申请人：Array BioPharma Inc.

  公开号：US09388171B2

  公开（公告）日：2016-07-12

  Compounds having the formula I wherein R2, X and Z as defined herein are inhibitors of ERK kinase. Also disclosed are compositions and methods for treating hyperproliferative disorders.

  具有公式I的化合物，其中R2，X和Z的定义如此，是ERK激酶的抑制剂。还揭示了用于治疗过度增殖性疾病的组合物和方法。
• SERINE/THREONINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE!DISEASES
  申请人：Array Biopharma, Inc.

  公开号：EP2888247A1

  公开（公告）日：2015-07-01
• SERINE/THREONINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES
  申请人：Array Biopharma, Inc.

  公开号：EP2888247B1

  公开（公告）日：2020-03-25
• US9388171B2
  申请人：——

  公开号：US9388171B2

  公开（公告）日：2016-07-12
• [EN] SERINE/THREONINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE|DISEASES<br/>[FR] INHIBITEURS DE SÉRINE/THRÉONINE KINASE POUR LE TRAITEMENT DE MALADIES HYPERPROLIFÉRATIVES
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2014036015A1

  公开（公告）日：2014-03-06

  Compounds having the formula I are inhibitors of ERK kinase. Also disclosed are compositions and methods for treating adenoma, bladder cancer, brain cancer, breast cancer, colon cancer, epidermal carcinoma, follicular carcinoma, cancer of the genitourinary tract, glioblastoma, Hodgkin's disease, head and neck cancers, hepatoma, keratoacanthoma, kidney cancer, large cell carcinoma, leukemias, lung adenocarcinoma, lung cancer, lymphoid disorders, melanoma and non-melanoma skin cancer, myelodysplasia syndrome, neuroblastoma, non-Hodgkins lymphoma, ovarian cancer, papillary carcinoma, pancreatic cancer, prostate cancer, rectal cancer, sarcoma, small cell carcinoma, testicular cancer, tetracarcinomas, thyroid cancer, and undifferentiated carcinoma.