methyl 3-[[(2R)-2-aminopropyl]amino]-5-methoxy-1-benzothiophene-2-carboxylate | 400652-27-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: methyl 3-[[(2R)-2-aminopropyl]amino]-5-methoxy-1-benzothiophene-2-carboxylate
• CAS: 400652-27-9
• 化学式: C₁₄H₁₈N₂O₃S
• 分子量: 294.375
• InChiKey: HCCINJNNMBMBNH-MRVPVSSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 3-[[(2R)-2-aminopropyl]amino]-5-methoxy-1-benzothiophene-2-carboxylate 在 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 (R)-3-Methoxy-7-methyl-5,6,7,8-tetrahydro-10-thia-5,8-diaza-benzo[a]azulen-9-one
  参考文献：
  名称：

  Benzothiophene inhibitors of MK2. Part 1: Structure–activity relationships, assessments of selectivity and cellular potency

  摘要：

  Identification of potent benzothiophene inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK2), structure-activity relationship (SAR) studies, selectivity assessments against CDK2, cellular potency and mechanism of action are presented. Crystallographic data provide a rationale for the observed MK2 potency as well as selectivity over CDK2 for this class of inhibitors. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.015
• 作为产物：
  描述：

  methyl 5-methoxy-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-1-benzothiophene-2-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 methyl 3-[[(2R)-2-aminopropyl]amino]-5-methoxy-1-benzothiophene-2-carboxylate
  参考文献：
  名称：

  Benzothiophene inhibitors of MK2. Part 1: Structure–activity relationships, assessments of selectivity and cellular potency

  摘要：

  Identification of potent benzothiophene inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK2), structure-activity relationship (SAR) studies, selectivity assessments against CDK2, cellular potency and mechanism of action are presented. Crystallographic data provide a rationale for the observed MK2 potency as well as selectivity over CDK2 for this class of inhibitors. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.015

文献信息

• Diazepinones as antiviral agents
  申请人：——

  公开号：US20040116410A1

  公开（公告）日：2004-06-17

  The invention is novel compounds of formula (I) which exhibit an improved therapeutic index and improved metabolic stability which are useful in the treatment and/or prevention of herpes viral infections. Novel intermediates useful in the synthesis of the final compounds are also part of the invention.
• [EN] DIAZEPINONES AS ANTIVIRAL AGENTS<br/>[FR] DIAZEPINONES UTILISEES COMME AGENTS ANTIVIRAUX
  申请人：WARNER LAMBERT CO

  公开号：WO2002014324A2

  公开（公告）日：2002-02-21

  The invention is novel compounds of formula (I) which exhibit an improved therapeutic index and improved metabolic stability which are useful in the treatment and/or prevention of herpes viral infections. Novel intermediates useful in the synthesis of the final compounds are also part of the invention.