ethyl 6-cyano-7-methyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate | 1415214-54-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: ethyl 6-cyano-7-methyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate
• 英文别名: Ethyl 6-cyano-7-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
• CAS: 1415214-54-8
• 化学式: C₁₇H₁₅NO₂S
• 分子量: 297.378
• InChiKey: LAJVQAGDMVTYHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  78.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 6-cyano-7-methyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate 在 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 6-Cyano-7-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid
  参考文献：
  名称：

  4H-Thieno[3,2-c]chromene based inhibitors of Notum Pectinacetylesterase

  摘要：

  A group of small molecule thienochromenes inhibitors of Notum Pectinacetylesterase are described. We developed SAR on three series based on carbon, oxygen and sulfur replacement of the 5-position. In each series, highly potent Notum Pectinacetylesterase inhibitors were identified. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.01.038
• 作为产物：
  描述：

  2-methyl-5-oxo-7,8-dihydro-6H-naphthalene-1-carbonitrile 在 sodium ethanolate 、 三氯氧磷 作用下， 生成 ethyl 6-cyano-7-methyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate
  参考文献：
  名称：

  4H-Thieno[3,2-c]chromene based inhibitors of Notum Pectinacetylesterase

  摘要：

  A group of small molecule thienochromenes inhibitors of Notum Pectinacetylesterase are described. We developed SAR on three series based on carbon, oxygen and sulfur replacement of the 5-position. In each series, highly potent Notum Pectinacetylesterase inhibitors were identified. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.01.038

文献信息

• 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE
  申请人：BARBOSA Joseph

  公开号：US20120302562A1

  公开（公告）日：2012-11-29

  Compounds that may be used to inhibit Notum Pectinacetylesterase are described, as well as compositions comprising them, and methods of their use to treat diseases and disorders affecting bone.

  描述了可以用来抑制Notum果胶乙酰酯酶的化合物，以及包含它们的组合物，以及它们用于治疗影响骨骼的疾病和紊乱的方法。
• US20140256784A1
  申请人：——

  公开号：US20140256784A1

  公开（公告）日：2014-09-11
• US9624238B2
  申请人：——

  公开号：US9624238B2

  公开（公告）日：2017-04-18
• [EN] 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE<br/>[FR] INHIBITEUR DE PECTINE ACÉTYLESTÉRASE DE NOTUM À BASE DE 4H-THIÉNO[3,2-C]CHROMÈNE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：LEXICON PHARMACEUTICALS INC

  公开号：WO2012166458A1

  公开（公告）日：2012-12-06

  Compounds that may be used to inhibit Notum Pectinacetylesterase are described, as well as compositions comprising them, and methods of their use to treat diseases and disorders affecting bone.