4,5,6,7-四氢-4-氧代-3-(丙硫基)-苯并[c]噻吩-1-羧酸乙酯 | 172516-30-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 4,5,6,7-四氢-4-氧代-3-(丙硫基)-苯并[c]噻吩-1-羧酸乙酯
• 英文名称: 4-oxo-3-propylsulfanyl-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid ethyl ester
• 英文别名: ethyl 4,5,6,7-tetrahydro-4-oxo-3-propylthiobenzo[c]thiophene-1-carboxylate；Ethyl 4-oxo-3-(propylthio)-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate；ethyl 4-oxo-3-propylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carboxylate
• CAS: 172516-30-2
• 化学式: C₁₄H₁₈O₃S₂
• mdl: MFCD00085085
• 分子量: 298.427
• InChiKey: LVWYWXLMDBCCKZ-UHFFFAOYSA-N

物化性质

• 沸点：
  464.8±45.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  96.9
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  4,5,6,7-四氢-4-氧代-3-(丙硫基)-苯并[c]噻吩-1-羧酸乙酯 生成 1-{1-[4-(3-Aminomethyl-phenyl)-piperidin-1-yl]-methanoyl}-3-propylsulfanyl-6,7-dihydro-5H-benzo[c]thiophen-4-one trifluoroacetate
  参考文献：
  名称：

  Chemical compounds

  摘要：

  本文提供了具有胰蛋白酶抑制活性的新颖和有用化合物，包括含有这些化合物的药物组合物，以及治疗患有可以通过给予胰蛋白酶抑制剂（例如哮喘和炎症性疾病等）而得到改善的疾病、疾病或紊乱的方法。

  公开号：

  US20030187020A1

文献信息

• Condensed 4,5,6,7-tetrahydrobenzo[C]thiophenes as enhancer for cell
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06066658A1

  公开（公告）日：2000-05-23

  A compound represented by the formula: ##STR1## wherein X represents a sulfur atom or an oxygen atom; Y represents an optionally oxidized sulfur atom or an oxygen atom; Z represents a bond or a divalent hydrocarbon group; R.sup.1 represents an optionally substituted hydrocarbon group; R.sup.2 represents an optionally amidated or esterified carboxyl group; ring A represents an optionally substituted aromatic 5-membered heterocyclic ring; or a salt thereof. A compound of the above formula possesses cell differentiation inducing factor action-enhancing activity and anti-matrix metalloprotease activity and that is useful in the prevention and treatment of bone diseases such as osteoporosis, bone fractures, osteoarthritis and rheumatoid arthritis, arteriosclerosis, cancer metastasis, and diseases based on nerve degeneration.

  公式表示的化合物：##STR1##其中X代表硫原子或氧原子；Y代表一个可氧化的硫原子或氧原子；Z代表一个键或二价碳氢基团；R.sup.1代表一个可取代的碳氢基团；R.sup.2代表一个可酰胺化或酯化的羧基团；环A代表一个可取代的芳香5-成员杂环；或其盐。上述公式的化合物具有细胞分化诱导因子活性增强作用和抗基质金属蛋白酶活性，并且在预防和治疗骨疾病如骨质疏松症、骨折、骨关节炎和类风湿性关节炎、动脉硬化、癌症转移以及基于神经退行性的疾病方面具有用处。
• [EN] ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS<br/>[FR] DERIVES D'ARYLMETHYLAMINE UTILISES COMME INHIBITEURS DE LA TRYPTASE
  申请人：AVENTIS PHARM PROD INC

  公开号：WO2001090101A1

  公开（公告）日：2001-11-29

  Provided herein are compounds of formula (I) wherein R1-4, n and Ar are as defined in claim 1, and their pharmaceutical compositions. These compounds are tryptase inhibitors and may be used in the treatment of e.g. asthma and inflammatory diseases.

  本发明提供了式(I)的化合物，其中R1-4、n和Ar如权利要求1所定义，以及它们的药物组成物。这些化合物是胰蛋白酶抑制剂，可用于治疗哮喘和炎症性疾病等疾病。
• Condensed 4,5,6,7-tetrahydrobenzo[C]thiopenes as enhancer for cell differentiation induction factor action
  申请人：——

  公开号：US20020049242A1

  公开（公告）日：2002-04-25

  A compound represented by the formula: 1 wherein X represents a sulfur atom or an oxygen atom; Y represents an optionally oxidized sulfur atom or an oxygen atom; Z represents a bond or a divalent hydrocarbon group; R 1 represents an optionally substituted hydrocarbon group; R 2 represents an optionally amidated or esterified carboxyl group; ring A represents an optionally substituted aromatic 5-membered heterocyclic ring; or a salt thereof. A compound of the above formula possesses cell differentiation inducing factor action-enhancing activity and anti-matrix metalloprotease activity and that is useful in the prevention and treatment of bone diseases such as osteoporosis, bone fractures, osteoarthritis and rheumatoid arthritis, arteriosclerosis, cancer metastasis, and diseases based on nerve degeneration.

  公式1所表示的化合物：其中X代表硫原子或氧原子；Y代表可选氧化的硫原子或氧原子；Z代表键或二价碳氢基团；R1代表可选取代的碳氢基团；R2代表可选酰胺化或酯化的羧基；环A代表可选取代的芳香性5-成员杂环；或其盐。上述公式的化合物具有细胞分化诱导因子增强活性和抗基质金属蛋白酶活性，可用于预防和治疗骨疾病，如骨质疏松症、骨折、骨关节炎和类风湿性关节炎、动脉硬化、癌症转移和基于神经退化的疾病。
• Condensed 4,5,6,7-tetrahydrobenzo&lsqb;C&rsqb;thiophenes as enhancer for cell differentiation induction factor action
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06242471B1

  公开（公告）日：2001-06-05

  A compound represented by the formula: wherein X represents a sulfur atom or an oxygen atom; Y represents an optionally oxidized sulfur atom or an oxygen atom; Z represents a bond or a divalent hydrocarbon group; R1 represents an optionally substituted hydrocarbon group; R2 represents an optionally amidated or esterified carboxyl group; ring A represents an optionally substituted aromatic 5-membered heterocyclic ring; or a salt thereof. A compound of the above formula possesses cell differentiation inducing factor action-enhancing activity and anti-matrix metalloprotease activity and that is useful in the prevention and treatment of bone diseases such as osteoporosis, bone fractures, osteoarthritis and rheumatoid arthritis, arteriosclerosis, cancer metastasis, and diseases based on nerve degeneration.

  一种化合物的化学式为：其中X代表硫原子或氧原子；Y代表可选氧化的硫原子或氧原子；Z代表一个键或二价的碳氢基团；R1代表可选取代的碳氢基团；R2代表可选酰胺化或酯化的羧基；环A代表可选取代的芳香5-成员杂环；或其盐。上述化合物具有细胞分化诱导因子增强活性和抗基质金属蛋白酶活性，对预防和治疗骨疾病如骨质疏松症、骨折、骨关节炎和类风湿性关节炎、动脉硬化、癌症转移以及神经退行性疾病等具有用处。
• Condensed 4,5,6,7-tetrahydrobenzo&lsqb;C&rsqb;thiophenes as enhancer for cell differentation induction factor action
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06489351B1

  公开（公告）日：2002-12-03

  A compound represented by the formula: wherein X represents a sulfur atom or an oxygen atom; Y represents an optionally oxidized sulfur atom or an oxygen atom; Z represents a bond or a divalent hydrocarbon group; R1 represents an optionally substituted hydrocarbon group; R2 represents an optionally amidated or esterified carboxyl group; ring A represents an optionally substituted aromatic 5-membered heterocyclic ring; or a salt thereof. A compound of the above formula possesses cell differentiation inducing factor action-enhancing activity and anti-matrix metalloprotease activity and that is useful in the prevention and treatment of bone diseases such as osteoporosis, bone fractures, osteoarthritis and rheumatoid arthritis, arteriosclerosis, cancer metastasis, and diseases based on nerve degeneration.

  一种化合物的化学式为：其中X代表硫原子或氧原子；Y代表可选氧化的硫原子或氧原子；Z代表键或二价碳氢基团；R1代表可选取代的碳氢基团；R2代表可选酰胺化或酯化的羧基；环A代表可选取代的芳香5元杂环；或其盐。上述化合物具有细胞分化诱导因子作用增强活性和抗基质金属蛋白酶活性，可用于预防和治疗骨疾病，如骨质疏松症，骨折，骨关节炎和类风湿性关节炎，动脉硬化，癌症转移和基于神经退化的疾病。