methyl α-mercaptophenyl acetate | 161446-81-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• 英文名称: methyl α-mercaptophenyl acetate
• 英文别名: (2-mercapto-phenyl)-acetic acid methyl ester；Methyl 2-(2-sulfanylphenyl)acetate
• CAS: 161446-81-7
• 化学式: C₉H₁₀O₂S
• 分子量: 182.243
• InChiKey: JKXJOTDLJPWAQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  27.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl α-mercaptophenyl acetate 在 N-氯代丁二酰亚胺 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 0.25h， 生成 2-methoxycarbonyl-4-methyl-benzenesulfenyl chloride
  参考文献：
  名称：

  Benzo[b]furane and benzo[b]thiophene derivatives

  摘要：

  本发明涉及通用公式IV的苯并[b]呋喃和苯并[b]噻吩衍生物作为自由碱或其盐，及其用途。

  公开号：

  US20060287386A1
• 作为产物：
  描述：

  (2-triisopropylsilanylsulfanyl-phenyl)-acetic acid methyl ester 在 triethylamine tris(hydrogen fluoride) 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 生成 methyl α-mercaptophenyl acetate
  参考文献：
  名称：

  Benzo[b]furane and benzo[b]thiophene derivatives

  摘要：

  本发明涉及通用公式IV的苯并[b]呋喃和苯并[b]噻吩衍生物作为自由碱或其盐，及其用途。

  公开号：

  US20060287386A1

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。
• 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。
• 9-Substituted 8-oxoadenine compound
  申请人：Kurimoto Ayumu

  公开号：US20070190071A1

  公开（公告）日：2007-08-16

  The present invention provides an 8-oxoadenine compound having immunemodulating activities such as an interferon inducing activity and useful as an antiviral agent and antiallergic agent, which is represented by the following formula (1): [wherein the ring A represents a 6-10 membered aromatic carbocyclic ring and the like, R represents a halogen atom, an alkyl group and the like, n represents an integer of 0-2, Z 1 represents alkylene, X 2 represents oxygen atom, sulfur atom, SO 2 , NR 5 , CO, CONR 5 , NR 5 CO and the like, Y 1 , Y 2 and Y 3 represent independently a single bond or an alkylene group, X 1 represents oxygen atom, sulfur atom, NR 4 (R 4 is hydrogen atom or an alkyl group) or a single bond, R 2 represents a substituted or unsubstituted alkyl group, R 1 represents hydrogen atom, hydroxy group, an alkoxy group, an alkoxycarbonyl group or a haloalkyl group] or its pharmaceutically acceptable salt.

  本发明提供了一种具有免疫调节活性的8-氧腺嘌呤化合物，例如干扰素诱导活性，并且可用作抗病毒剂和抗过敏剂，其化学式如下（1）所示：[其中，环A代表6-10个成员的芳香环烷基环等，R代表卤素原子，烷基等，n代表0-2的整数，Z1代表烷基，X2代表氧原子，硫原子，SO2，NR5，CO，CONR5，NR5CO等，Y1，Y2和Y3独立地代表单键或烷基，X1代表氧原子，硫原子，NR4（R4为氢原子或烷基）或单键，R2代表取代或未取代的烷基，R1代表氢原子，羟基，烷氧基，烷氧羰基或卤代烷基]或其药学上可接受的盐。
• 9-Substituted 8-Oxoadenine Compound
  申请人：Kurimoto Ayumu

  公开号：US20140045837A1

  公开（公告）日：2014-02-13

  The present invention provides an 8-oxoadenine compound having immunomodulating activities such as an interferon inducing activity and useful as an antiviral agent and antiallergic agent, which is represented by the following formula (1): [wherein the ring A represents a 6-10 membered aromatic carbocyclic ring and the like, R represents a halogen atom, an alkyl group and the like, n represents an integer of 0-2, Z 1 represents alkylene, X 2 represents oxygen atom, sulfur atom, SO 2 , NR 5 , CO, CONR 5 , NR 5 CO and the like, Y 1 , Y 2 and Y 3 represent independently a single bond or an alkylene group, X 1 represents oxygen atom, sulfur atom, NR 4 (R 4 is hydrogen atom or an alkyl group) or a single bond, R 2 represents a substituted or unsubstituted alkyl group, R 1 represents hydrogen atom, hydroxy group, an alkoxy group, an alkoxycarbonyl group or a haloalkyl group] or its pharmaceutically acceptable salt.

  本发明提供了一种具有免疫调节活性的8-氧腺嘌呤化合物，例如干扰素诱导活性，并可用作抗病毒剂和抗过敏剂，其化学式表示为（1）：[其中环A代表6-10个成员的芳香环烃环等，R代表卤素原子，烷基等，n代表0-2的整数，Z1代表烷基，X2代表氧原子，硫原子，SO2，NR5，CO，CONR5，NR5CO等，Y1，Y2和Y3分别代表单键或烷基，X1代表氧原子，硫原子，NR4（R4为氢原子或烷基）或单键，R2代表取代或未取代的烷基，R1代表氢原子，羟基，烷氧基，烷氧羰基或卤代烷基]或其药学上可接受的盐。
• Benzo[b]furane And Benzo[b]thiophene Derivatives
  申请人：Kehler Jan

  公开号：US20090192213A1

  公开（公告）日：2009-07-30

  The present invention relates to benzo[b]furane and benzo[b]thiophene derivatives of the general formula IV as the free base or salts thereof and their use.

  本发明涉及一般公式IV的苯并[b]呋喃和苯并[b]噻吩衍生物的自由碱或盐以及它们的用途。