phenyl-N-[4-(5-[4-(2-tetrahydro-1H-1-pyrrolylethoxy)benzoyl]amino-1H-3-pyrazolyl)phenyl]carbamate | 1391621-58-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: phenyl-N-[4-(5-[4-(2-tetrahydro-1H-1-pyrrolylethoxy)benzoyl]amino-1H-3-pyrazolyl)phenyl]carbamate
• 英文别名: phenyl N-[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]carbamate
• CAS: 1391621-58-1；1395050-90-4
• 化学式: C₂₉H₂₉N₅O₄
• 分子量: 511.58
• InChiKey: COAWOLGBXJWLNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  109
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-[2-(1-pyrrolidinyl)ethoxy]benzoyl chloride 在 吡啶 、 盐酸 、 palladium on activated charcoal 、 氢气 作用下， 以 甲醇 、 水 为溶剂， 生成 phenyl-N-[4-(5-[4-(2-tetrahydro-1H-1-pyrrolylethoxy)benzoyl]amino-1H-3-pyrazolyl)phenyl]carbamate
  参考文献：
  名称：

  3-Phenyl-1H-5-pyrazolylamine-based derivatives as potent and efficacious inhibitors of FMS-like tyrosine kinase-3 (FLT3)

  摘要：

  A new class of FLT3 inhibitors has been identified based on the 3-phenyl-1H-5-pyrazolylamine scaffold. The structure-activity relationships led to the discovery of two carbamate series, and some potent compounds within these two series exhibited better growth inhibition of FLT3-mutated MOLM-13 cells than FLT3 inhibitors sorafenib (2) and ABT-869 (3). In particular, compound 8d exhibited the ability to regress tumors in mouse xenograft model using MOLM-13 cells. (C) 2012 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2012.05.116

文献信息

• MST1 KINASE INHIBITORS AND METHODS OF THEIR USE
  申请人：Augeri David John

  公开号：US20120225857A1

  公开（公告）日：2012-09-06

  Compounds for the inhibition of mammalian Ste20-like kinase 1 (MST1) are disclosed, along with compositions comprising them and methods of their use in the treatment, management or prevention of an inflammatory or autoimmune diseases or disorders.

  揭示了用于抑制哺乳动物Ste20样激酶1（MST1）的化合物，以及包含它们的组合物和在治疗、管理或预防炎症性或自身免疫疾病或紊乱中使用它们的方法。
• US8440652B2
  申请人：——

  公开号：US8440652B2

  公开（公告）日：2013-05-14
• 3-Phenyl-1H-5-pyrazolylamine-based derivatives as potent and efficacious inhibitors of FMS-like tyrosine kinase-3 (FLT3)
  作者：John T.-A. Hsu、Teng-Kuang Yeh、Shih-Chieh Yen、Chiung-Tong Chen、Shu-Yi Hsieh、Tsu Hsu、Cheng-Tai Lu、Chun-Hwa Chen、Ling-Hui Chou、Ching-Hui Chiu、Yun-I Chang、Ya-Ju Tseng、Kuei-Rong Yen、Yu-Sheng Chao、Wen-Hsing Lin、Weir-Torn Jiaang

  DOI：10.1016/j.bmcl.2012.05.116

  日期：2012.7

  A new class of FLT3 inhibitors has been identified based on the 3-phenyl-1H-5-pyrazolylamine scaffold. The structure-activity relationships led to the discovery of two carbamate series, and some potent compounds within these two series exhibited better growth inhibition of FLT3-mutated MOLM-13 cells than FLT3 inhibitors sorafenib (2) and ABT-869 (3). In particular, compound 8d exhibited the ability to regress tumors in mouse xenograft model using MOLM-13 cells. (C) 2012 Published by Elsevier Ltd.