(E)-ethyl N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)formimidate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (E)-ethyl N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)formimidate
• 英文别名: ethyl (1E)-N-(1-benzyl-3-cyano-4,5-diphenylpyrrol-2-yl)methanimidate
• 化学式: C₂₇H₂₃N₃O
• 分子量: 405.499
• InChiKey: BNBJLVCAWGWMLV-ZTKZIYFRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  50.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (E)-ethyl N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)formimidate 以 甲醇 、 水 、 异丙醇 为溶剂， 反应 2.0h， 生成 3-((7-benzyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)propan-1-ol
  参考文献：
  名称：

  Discovery and Optimization of Pyrrolopyrimidine Derivatives as Selective Disruptors of the Perinucleolar Compartment, a Marker of Tumor Progression toward Metastasis

  摘要：

  DOI：

  10.1021/acs.jmedchem.2c00204
• 作为产物：
  描述：

  N-benzyldesylamine 在 溶剂黄146 作用下， 以 甲苯 为溶剂， 反应 1.5h， 生成 (E)-ethyl N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)formimidate
  参考文献：
  名称：

  7H-吡咯并[3,2-e][1,2,4]三唑并[1,5-c]-和7h-吡咯并[3,2-e][1,2,4]三唑并[ 4,3-c]嘧啶

  摘要：

  摘要 7H-吡咯并[3,2-e][1,2,4]三唑并[1,5-c]嘧啶是由2-乙氧基亚甲基氨基-1H-吡咯-3-腈与酰肼反应合成的。氨基亚氨基嘧啶（基于上述腈类制备）与酰氯的反应。

  DOI：

  10.1007/s11172-006-0445-2

文献信息

• [EN] COMPOUNDS AND METHODS FOR THE PREVENTION AND TREATMENT OF TUMOR METASTASIS AND TUMORIGENESIS<br/>[FR] COMPOSÉS ET MÉTHODE DE PRÉVENTION ET DE TRAITEMENT DES MÉTASTASES TUMORALES ET DE LA TUMORIGENÈSE
  申请人：US HEALTH

  公开号：WO2013090912A1

  公开（公告）日：2013-06-20

  The disclosure provides compounds for reducing the prevalence of the perinucleolar compartment in cells, for example, of formula (I), wherein R1, R2, R3, and R4 are as defined herein, that are useful in treating a disease or disorder associated with increased prevalence of the perinucleolar compartment, such as cancer. Also disclosed is a composition containing a pharmaceutically acceptable carrier and at least one compound embodying the principles of the invention, and a method of treating or preventing cancer in a mammal.

  本公开提供了一种化合物，用于减少细胞中周核质区的普遍性，例如式（I）中定义的R1、R2、R3和R4，这些化合物对于治疗与周核质区增加普遍性相关的疾病或障碍，例如癌症，是有用的。还公开了一种含有药学上可接受载体和至少一种体现本发明原则的化合物的组合物，以及一种在哺乳动物中治疗或预防癌症的方法。
• Combination therapy for the inhibition of metastasis and tumorigenesis
  申请人：Oliva Eugene J.

  公开号：US09877966B1

  公开（公告）日：2018-01-30

  The invention provides therapeutic compositions and methods for the inhibition of metastasis and for treatment of cancers in human and non-human mammals that are directed to the coformulation and/or coadministration of a dehydropyrimidine dehydrogenase inhibitor such as gimeracil and a pyrrolopyrimidine compound.

  本发明提供了治疗组合物和方法，用于抑制转移和治疗人类和非人哺乳动物的癌症，该组合物和/或联合给药是针对脱氢嘧啶脱氢酶抑制剂（如吉美拉西尔）和吡咯嘧啶类化合物的。
• Compounds and methods for the prevention and treatment of tumor metastasis and tumorigenesis
  申请人：The United States of America, as represented by the Secretary, Department of Health and Human Services

  公开号：US10301314B2

  公开（公告）日：2019-05-28

  The disclosure provides compounds for reducing the prevalence of the perinucleolar compartment in cells, for example, of formula (I), wherein R1, R2, R3, and R4 are as defined herein, that are useful in treating a disease or disorder associated with increased prevalence of the perinucleolar compartment, such as cancer. Also disclosed is a composition containing a pharmaceutically acceptable carrier and at least one compound embodying the principles of the invention, and a method of treating or preventing cancer in a mammal.

  本发明公开了用于降低细胞核周室流行率的化合物，例如，式（I）化合物，其中 R1、R2、R3 和 R4 如本文所定义，可用于治疗与细胞核周室流行率增加有关的疾病或紊乱，如癌症。还公开了一种含有药学上可接受的载体和至少一种体现本发明原理的化合物的组合物，以及一种治疗或预防哺乳动物癌症的方法。
• COMPOUNDS AND METHODS FOR THE PREVENTION AND TREATMENT OF TUMOR METASTASIS AND TUMORIGENESIS
  申请人：The U.S.A. as represented by the Secretary, Department of Health and Human Services

  公开号：EP2791142B1

  公开（公告）日：2019-07-03
• US9663521B2
  申请人：——

  公开号：US9663521B2

  公开（公告）日：2017-05-30