2-(4-methoxy-phenylsulfanyl)-2-methyl-propionic acid ethyl ester | 58076-39-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(4-methoxy-phenylsulfanyl)-2-methyl-propionic acid ethyl ester
• 英文别名: ethyl 2-[(4-methoxyphenyl)thio]-2-methylpropionate；α-Arylthioisobuttersaeureaethylester；Ethyl 2-(4-methoxyphenyl)sulfanyl-2-methylpropanoate
• CAS: 58076-39-4
• 化学式: C₁₃H₁₈O₃S
• 分子量: 254.35
• InChiKey: FZGHXXBQQBQXMB-UHFFFAOYSA-N

物化性质

• 沸点：
  155-156 °C(Press: 3.5 Torr)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  60.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-methoxy-phenylsulfanyl)-2-methyl-propionic acid ethyl ester 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 ethyl 2-(4-methoxyphenyl)sulfinyl-2-methylpropanoate
  参考文献：
  名称：

  Tsukurimichi, Eiichi; Yoshimura, Toshiaki; Yoshizawa, Masaki, Phosphorus, Sulfur and Silicon and the Related Elements, 1989, vol. 46, p. 113 - 120

  摘要：

  DOI：
• 作为产物：
  描述：

  α-Arylthioisobuttersaeure 以56%的产率得到
  参考文献：
  名称：

  ANDREANI F.; ANDRISANO R.; ANDREANI A., FARMACO ED. SCI , 1975, 30, NO 10, 847-858

  摘要：

  DOI：

文献信息

• Compounds Which Modulate The CB2 Receptor
  申请人：BERRY Angela

  公开号：US20080039464A1

  公开（公告）日：2008-02-14

  Compound of formula (I) are disclosed. Compounds according to the invention bind to and are agonists, antagonists or inverse agonists of the CB2 receptor, and are useful for treating inflammation. Those compounds which are agonists are additionally useful for treating pain.

  本发明揭示了化合物的公式（I）。根据本发明的化合物与CB2受体结合，并且是激动剂、拮抗剂或逆激动剂，适用于治疗炎症。那些是激动剂的化合物还可用于治疗疼痛。
• Compounds Which Modulate the CB2 Receptor
  申请人：BERRY Angela

  公开号：US20110071127A1

  公开（公告）日：2011-03-24

  Compounds of formula (I) are disclosed. Compounds according to the invention bind to and are agonists, antagonists or inverse agonists of the CB2 receptor, and are useful for treating inflammation. Those compounds which are agonists are additionally useful for treating pain.

  公式(I)的化合物被披露。本发明的化合物与CB2受体结合，并且是激动剂、拮抗剂或反向激动剂，可用于治疗炎症。那些是激动剂的化合物还可用于治疗疼痛。
• COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR
  申请人：Bartolozzi Alessandra

  公开号：US20120316173A1

  公开（公告）日：2012-12-13

  Compounds of formula (I) are disclosed. Compounds according to the invention bind to and are agonists, antagonists or inverse agonists of the CB2 receptor, and are useful for treating inflammation. Those compounds which are agonists are additionally useful for treating pain.

  公式（I）的化合物已被揭示。本发明的化合物与CB2受体结合，并且是激动剂、拮抗剂或反向激动剂，可用于治疗炎症。那些是激动剂的化合物还可用于治疗疼痛。
• FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1535915A1

  公开（公告）日：2005-06-01

  The present invention provides a compound represented by the formula (I): [wherein R is an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group, p is 0, 1 or 2, and when p is 2, each R may be the same or different, R1 is a hydrogen atom or an optionally substituted hydrocarbon group, R2 is an optionally substituted aromatic group, Ring A is an optionally substituted monocyclic aromatic ring or optionally substituted bicyclic aromatic fused ring, X1 is an oxygen atom or a sulfur atom, X2 is a bond, an oxygen atom or -S(O)n- (wherein n is 0, 1 or 2), Y is a bond, an oxygen atom, -S(O)m-, -C(=O)-N(R3)- or -N(R3)-C(=O)- (R3 is a hydrogen atom, an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group, and m is 0, 1 or 2), M1, M2 and M3 may be the same or different and are each independently a bond or an optionally substituted divalent aliphatic hydrocarbon group, and M4 is an optionally substituted divalent aliphatic hydrocarbon group] or a salt thereof, which is useful as a prophylactic and/or therapeutic agent for lipid metabolism abnormality, arteriosclerotic disease and sequelae thereof, diabetes mellitus and the like.

  本发明提供了一种由式（I）表示的化合物： [其中 R 为任选取代的烃基或任选取代的杂环基，p 为 0、1 或 2，当 p 为 2 时，每个 R 可以相同或不同，R1 为氢原子或任选取代的烃基，R2 为任选取代的芳香基、环 A 是任选取代的单环芳香环或任选取代的双环芳香融合环，X1 是氧原子或硫原子，X2 是键、氧原子或 -S(O)n- （其中 n 是 0、1 或 2），Y 是键、氧原子、-S(O)m-、-R3是氢原子、任选取代的烃基或任选取代的杂环基，m是0、1或2），M1、M2和M3可以相同或不同，各自独立地是键或任选取代的二价脂族烃基、和 M4 是任选取代的二价脂族烃基]或其盐，可用作脂质代谢异常、动脉硬化疾病及其后遗症、糖尿病等的预防和/或治疗剂。
• Furan or thiopene derivative and medicinal use thereof
  申请人：Hamamura Kazumasa

  公开号：US20060100261A1

  公开（公告）日：2006-05-11

  The present invention provides a compound represented by the formula (I): [wherein R is an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group, p is 0, 1 or 2, and when p is 2, each R may be the same or different, R 1 is a hydrogen atom or an optionally substituted hydrocarbon group, R 2 is an optionally substituted aromatic group, Ring A is an optionally substituted monocyclic aromatic ring or optionally substituted bicyclic aromatic fused ring, X 1 is an oxygen atom or a sulfur atom, X 2 is a bond, an oxygen atom or —S(O) n — (wherein n is 0, 1 or 2), Y is a bond, an oxygen atom, —S(O) m —, —C(═O)—N(R 3 )— or —N(R 3 )—C(═O)— (R 3 is a hydrogen atom, an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group, and m is 0, 1 or 2), M 1 , M 2 and M 3 may be the same or different and are each independently a bond or an optionally substituted divalent aliphatic hydrocarbon group, and M 4 is an optionally substituted divalent aliphatic hydrocarbon group] or a salt thereof, which is useful as a prophylactic and/or therapeutic agent for lipid metabolism abnormality, arteriosclerotic disease and sequelae thereof, diabetes mellitus and the like.

  本发明提供了一种由式（I）表示的化合物： [其中 R 为任选取代的烃基或任选取代的杂环基，p 为 0、1 或 2，当 p 为 2 时，每个 R 可以相同或不同，R 1 是氢原子或任选取代的烃基，R 2 是任选取代的芳香基团，环 A 是任选取代的单环芳香环或任选取代的双环芳香融合环，X 1 是氧原子或硫原子，X 2 是键、氧原子或 -S(O) n - 其中 n 为 0、1 或 2），Y 为键、氧原子、-S(O) m -、-C(═O)-N(R 3 )-或-N(R 3 )-C(═O)-(R 3 是氢原子、任选取代的烃基或任选取代的杂环基，且 m 是 0、1 或 2），M 1 , M 2 和 M 3 可以相同或不同，且各自独立地为键或任选取代的二价脂族烃基，以及 M 4 是任选取代的二价脂族烃基]或其盐，可用作脂质代谢异常、动脉硬化疾病及其后遗症、糖尿病等的预防和/或治疗剂。