Ethyl 4-chloro-5-formyl-6,7-dihydro-3-(methylthio)benzothiophene-1-carboxylate | 175541-24-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: Ethyl 4-chloro-5-formyl-6,7-dihydro-3-(methylthio)benzothiophene-1-carboxylate
• 英文别名: ethyl 4-chloro-5-formyl-3-(methylsulfanyl)-6,7-dihydro-2-benzothiophene-1-carboxylate；ethyl 4-chloro-5-formyl-6,7-dihydro-3-methylthiobenzo[c]thiophene-1-carboxylate；ethyl 4-chloro-5-formyl-3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylate
• CAS: 175541-24-9
• 化学式: C₁₃H₁₃ClO₃S₂
• 分子量: 316.829
• InChiKey: TXOXAQYQQGMTRG-UHFFFAOYSA-N

物化性质

• 沸点：
  484.0±45.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  96.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Ethyl 4-chloro-5-formyl-6,7-dihydro-3-(methylthio)benzothiophene-1-carboxylate 在 草酰氯 、 potassium trimethylsilonate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 丙酮 、 甲苯 为溶剂， 反应 18.5h， 生成 8-(methylsulfanyl)-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide
  参考文献：
  名称：

  FUSED HETEROCYCLIC COMPOUND

  摘要：

  公开号：

  EP3133075B1
• 作为产物：
  描述：

  3-(甲基硫代)-4-氧代-4,5,6,7-四氢苯并[c]噻吩-1-羧酸乙酯 在 三氯氧磷 作用下， 以 氯仿 、 氮气 、 N,N-二甲基甲酰胺 为溶剂， 以73.8%的产率得到Ethyl 4-chloro-5-formyl-6,7-dihydro-3-(methylthio)benzothiophene-1-carboxylate
  参考文献：
  名称：

  Condensed 4,5,6,7-tetrahydrobenzo[C]thiophenes as enhancer for cell

  摘要：

  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。

  公开号：

  US06066658A1

文献信息

• 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[C]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[C]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。
• Condensed 4,5,6,7-tetrahydrobenzo[C]thiopenes as enhancer for cell differentiation induction factor action
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06391905B1

  公开（公告）日：2002-05-21

  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.

  一种化合物由以下的公式所代表：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代表单键或二价碳氢基团；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，并且在预防和治疗骨疾病如骨质疏松、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行性的疾病中有用。
• Bi-functional complexes and methods for making and using such complexes
  申请人：Gouliaev Alex Haahr

  公开号：US11225655B2

  公开（公告）日：2022-01-18

  The present invention is directed to a method for the synthesis of a bi-functional complex comprising a molecule part and an identifier oligonucleotide part identifying the molecule part. A part of the synthesis method according to the present invention is preferably conducted in one or more organic solvents when a nascent bi-functional complex comprising an optionally protected tag or oligonucleotide identifier is linked to a solid support, and another part of the synthesis method is preferably conducted under conditions suitable for enzymatic addition of an oligonucleotide tag to a nascent bi-functional complex in solution.

  本发明涉及一种合成双功能复合物的方法，该复合物包括分子部分和识别分子部分的识别寡核苷酸部分。根据本发明的合成方法的一部分优选在一种或多种有机溶剂中进行，此时包含可选保护标签或寡核苷酸标识符的新生双功能复合物与固体支持物相连接，合成方法的另一部分优选在适合于将寡核苷酸标签酶加到溶液中的新生双功能复合物的条件下进行。