benzyl N-(N'-methyl-N-phenylmethoxycarbonylcarbamimidoyl)carbamate | 1610517-89-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl N-(N'-methyl-N-phenylmethoxycarbonylcarbamimidoyl)carbamate
• CAS: 1610517-89-9
• 化学式: C₁₈H₁₉N₃O₄
• 分子量: 341.367
• InChiKey: SQNKIKNIMGZNAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  89
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  benzyl N-(N'-methyl-N-phenylmethoxycarbonylcarbamimidoyl)carbamate 在 10 wt% Pd(OH)2 on carbon 、 氢气 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 16.0h， 生成 甲胍
  参考文献：
  名称：

  Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2

  摘要：

  The discovery and optimization of a series of tetrahydropyridopyrimidine based extracellular signal-regulated kinase (Erks) inhibitors discovered via HTS and structure based drug design is reported. The compounds demonstrate potent and selective inhibition of Erk2 and knockdown of phospho-RSK levels in HepG2 cells and tumor xenografts. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.04.068
• 作为产物：
  描述：

  甲胺 、 N,N'-双(苄氧羰基)-1H-吡唑-1-甲脒 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 benzyl N-(N'-methyl-N-phenylmethoxycarbonylcarbamimidoyl)carbamate
  参考文献：
  名称：

  Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2

  摘要：

  The discovery and optimization of a series of tetrahydropyridopyrimidine based extracellular signal-regulated kinase (Erks) inhibitors discovered via HTS and structure based drug design is reported. The compounds demonstrate potent and selective inhibition of Erk2 and knockdown of phospho-RSK levels in HepG2 cells and tumor xenografts. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.04.068

文献信息

• TETRAPEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME
  申请人：KANEKA CORPORATION

  公开号：US20160264623A1

  公开（公告）日：2016-09-15

  The present invention is to provide a method for the efficient production on an industrial scale of SS-31 (D-Arg-Dmt-Lys-Phe-NH 2 ), which is an SS peptide. According to the present invention, the desired SS-31 is produced by efficiently synthesizing a tetrapeptide compound as a precursor of SS-31 and improving the tetrapeptide purity by crystallization.

  本发明旨在提供一种在工业规模上高效生产SS-31（D-Arg-Dmt-Lys-Phe-NH2）的方法，该化合物是一种SS肽。根据本发明，所需的SS-31通过高效合成作为SS-31前体的四肽化合物，并通过结晶提高四肽的纯度来生产。
• [EN] MALT1 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE MALT1 ET LEURS UTILISATIONS
  申请人：UNIV CORNELL

  公开号：WO2017040304A1

  公开（公告）日：2017-03-09

  Provided herein are compounds of Formula (I) and pharmaceutical compositions thereof, which may be useful as MALT1 inhibitors. Also provided are for the treatment of proliferative disorders (e.g., cancer (e.g., non-Hodgkin' s lymphoma, diffuse large B-cell lymphoma, MALT lymphoma), benign neoplasm, a disease associated with angiogenesis,an autoimmune disease, an inflammatory disease, an autoinflammatory disease) by administering a compound of Formula (I).

  本文提供了化合物的化学式(I)及其药物组合物，可用作MALT1抑制剂。还提供了通过给予化合物的化学式(I)来治疗增生性疾病（例如癌症（例如非霍奇金淋巴瘤、弥漫性大B细胞淋巴瘤、MALT淋巴瘤）、良性肿瘤、与血管生成有关的疾病、自身免疫疾病、炎症性疾病、自身炎症性疾病）的方法。
• EP3341007B1
  申请人：——

  公开号：EP3341007B1

  公开（公告）日：2020-12-23
• Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2
  作者：James F. Blake、John J. Gaudino、Jason De Meese、Peter Mohr、Mark Chicarelli、Hongqi Tian、Rustam Garrey、Allen Thomas、Christopher S. Siedem、Michael B. Welch、Gabrielle Kolakowski、Robert Kaus、Michael Burkard、Matthew Martinson、Huifen Chen、Brian Dean、Danette A. Dudley、Stephen E. Gould、Patricia Pacheco、Sheerin Shahidi-Latham、Weiru Wang、Kristina West、Jianping Yin、John Moffat、Jacob B. Schwarz

  DOI：10.1016/j.bmcl.2014.04.068

  日期：2014.6

  The discovery and optimization of a series of tetrahydropyridopyrimidine based extracellular signal-regulated kinase (Erks) inhibitors discovered via HTS and structure based drug design is reported. The compounds demonstrate potent and selective inhibition of Erk2 and knockdown of phospho-RSK levels in HepG2 cells and tumor xenografts. (C) 2014 Elsevier Ltd. All rights reserved.