1-(3,4-dichlorophenyl)-2-hydroxy-2-[4-(methylthio)phenyl]ethanone | 177755-55-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 1-(3,4-dichlorophenyl)-2-hydroxy-2-[4-(methylthio)phenyl]ethanone
• 英文别名: 1-(3,4-dichlorophenyl)-2-hydroxy-2-(4-methylsulfanylphenyl)ethanone
• CAS: 177755-55-4
• 化学式: C₁₅H₁₂Cl₂O₂S
• 分子量: 327.231
• InChiKey: XLPHCNZUQVTUOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  62.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3,4-dichlorophenyl)-2-hydroxy-2-[4-(methylthio)phenyl]ethanone 生成 1-(4-(methylthio)phenyl)-2-phenylethane-1,2-dione
  参考文献：
  名称：

  Benzenesulfonamide subtituted imidazolyl compounds for the treatment of

  摘要：

  描述了一类咪唑基化合物，用于治疗炎症和与炎症相关的疾病。特别感兴趣的化合物由式II定义，其中R.sup.1从较低的烷基、较低的卤代烷基、较低的羟基烷基、较低的芳基烯基、较低的芳氧基烷基、较低的芳硫基烷基和杂芳基中选择；其中R.sup.3从较低的烷基和氨基中选择；其中R.sup.4是从氢化物、卤素、较低的烷基和较低的烷氧基中选择的一个或多个基团；或者R.sup.4与苯基一起形成萘基或苯二氧杂基；在R.sup.3为甲基且R.sup.4为氢化物、甲基、甲氧基或氯时，提供R.sup.1不是较低烷基；或其药用盐。

  公开号：

  US05620999A1
• 作为产物：
  描述：

  2-(3,4-dichlorophenyl)-2-((trimethylsilyl)oxy)acetonitrile 、 4-(甲基巯基)苯甲醛 、 5-(4-fluorophenyl)-4-(4-(methylsulfonyl)phenyl)-2-(trifluoromethyl)-1H-imidazole 在 sodium hydroxide 盐酸 、 KHF₂ 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 以30%的产率得到1-(3,4-dichlorophenyl)-2-hydroxy-2-[4-(methylthio)phenyl]ethanone
  参考文献：
  名称：

  Benzenesulfonamide subtituted imidazolyl compounds for the treatment of

  摘要：

  描述了一类咪唑基化合物，用于治疗炎症和与炎症相关的疾病。特别感兴趣的化合物由式II定义，其中R.sup.1从较低的烷基、较低的卤代烷基、较低的羟基烷基、较低的芳基烯基、较低的芳氧基烷基、较低的芳硫基烷基和杂芳基中选择；其中R.sup.3从较低的烷基和氨基中选择；其中R.sup.4是从氢化物、卤素、较低的烷基和较低的烷氧基中选择的一个或多个基团；或者R.sup.4与苯基一起形成萘基或苯二氧杂基；在R.sup.3为甲基且R.sup.4为氢化物、甲基、甲氧基或氯时，提供R.sup.1不是较低烷基；或其药用盐。

  公开号：

  US05620999A1

文献信息

• 4,5-subtstituted imdazolyl compounds for the treatment of inflammation
  申请人：G.D. Searle & Co.

  公开号：US20030050330A1

  公开（公告）日：2003-03-13

  A class of compounds is described for treating inflammation and inflammation-related disorders. Compounds of particular interest are defined by Formula I 1 wherein R 1 is selected from lower alkyl, lower haloalkyl, lower hydroxyalkyl, lower alkoxyalkyl, lower alkenyloxyalkyl, mercapto, lower alkylcarbonyl, lower haloalkylcarbonyl, phenylcarbonyl, lower aralkylcarbonyl, lower aralkenyl, lower aryloxyalkyl, lower aralkyloxyalkyl, lower arylsulfonyl, lower aralkylsulfonyl, lower arylthioalkyl, lower heteroarylalkylthioalkyl, and heteroaryl selected from 2 -thienyl, 2 -furyl, 3 -furyl, 2 -pyridyl, 4 -pyridyl and 2 -benzofuryl; wherein R 2 and R 3 are independently selected from heteroaryl, cycloalkyl and aryl, wherein the heteroaryl, cycloalkyl and aryl radicals are substituted at a substitutable position with one or more radicals selected from hydrido, halo, lower alkylthio, lower alkylsulfinyl, lower alkylsulfonyl, aminosulfonyl, lower alkyl, cyano, carboxyl, lower alkoxycarbonyl, lower haloalkyl, hydroxyl, lower alkoxy, lower hydroxyalkyl, lower alkoxyalkyl, lower haloalkoxy, amino, lower alkylamino, phenylamino and nitro; and wherein R 4 is selected from hydrido, lower alkyl and acyl; or a pharmaceutically-acceptable salt thereof.

  描述了一类化合物，用于治疗炎症和与炎症相关的疾病。特别感兴趣的化合物由公式I1定义，其中R1选自较低的烷基，较低的卤代烷基，较低的羟基烷基，较低的烷氧基烷基，较低的烯氧基烷基，巯基，较低的烷基羰基，较低的卤代烷基羰基，苯基羰基，较低的芳基烷基羰基，较低的芳基烯基，较低的芳氧基烷基，较低的芳基氧烷基，较低的芳基磺酰基，较低的芳基烷基磺酰基，较低的芳基硫代烷基，较低的杂芳基烷基硫代烷基，和杂芳基，所述杂芳基选自2-噻吩基，2-呋喃基，3-呋喃基，2-吡啶基，4-吡啶基和2-苯并呋喃基；其中R2和R3分别选自杂芳基，环烷基和芳基，所述杂芳基，环烷基和芳基基团在可取代的位置上用一个或多个基团选自氢，卤素，较低的烷基硫，较低的烷基亚砜，较低的烷基磺酰基，氨基磺酰基，较低的烷基，氰基，羧基，较低的烷氧基羰基，较低的卤代烷基，羟基，较低的烷氧基，较低的羟基烷基，较低的烷氧基烷基，较低的卤代芳基氧基，氨基，较低的烷基氨基，苯基氨基和硝基；其中R4选自氢，较低的烷基和酰基；或其药学上可接受的盐。
• 4,5-substituted imidazolyl compounds for the treatment of inflammation
  申请人：G D Searle & Co.

  公开号：US06426360B1

  公开（公告）日：2002-07-30

  A class of compounds is described for treating inflammation and inflammation-related disorders. Compounds of particular interest are defined by Formula wherein R1 is selected from lower alkyl, lower haloalkyl, lower hydroxyalkyl, lower alkoxyalkyl, lower alkenyloxyalkyl, mercapto, lower alkylcarbonyl, lower haloalkylcarbonyl, phenylcarbonyl, lower aralkylcarbonyl, lower aralkenyl, lower aryloxyalkyl, lower aralkyloxyalkyl, lower arylsulfonyl, lower aralkylsulfonyl, lower arylthioalkyl, lower heteroarylalkylthioalkyl, and heteroaryl selected from 2-thienyl, 2-furyl, 3-furyl, 2-pyridyl, 4-pyridyl and 2-benzofuryl; wherein R2 and R3 are independently selected from heteroaryl, cycloalkyl and aryl, wherein the heteroaryl, cycloalkyl and aryl radicals are substituted at a substitutable position with one or more radicals selected from hydrido, halo, lower alkylthio, lower alkylsulfinyl, lower alkylsulfonyl, aminosulfonyl, lower alkyl, cyano, carboxyl, lower alkoxycarbonyl, lower haloalkyl, hydroxyl, lower alkoxy, lower hydroxyalkyl, lower alkoxyalkyl, lower haloalkoxy, amino, lower alkylamino, phenylamino and nitro; and wherein R4 is selected from hydrido, lower alkyl and acyl; or a pharmaceutically-acceptable salt thereof.

  描述了一类用于治疗炎症和炎症相关疾病的化合物。特别感兴趣的化合物由以下式子定义：其中R1选自较低的烷基、较低的卤代烷基、较低的羟基烷基、较低的烷氧基烷基、较低的烯氧基烷基、巯基、较低的烷基羰基、较低的卤代烷基羰基、苯基羰基、较低的芳基烷基羰基、较低的芳基烯基、较低的芳氧基烷基、较低的芳基氧基烷基、较低的芳基磺酰基、较低的芳基烷基磺酰基、较低的芳基硫代烷基、较低的杂芳基烷基硫代烷基和选自2-噻吩基、2-呋喃基、3-呋喃基、2-吡啶基、4-吡啶基和2-苯并呋喃基的杂芳基；其中R2和R3独立选自杂芳基、环烷基和芳基，其中杂芳基、环烷基和芳基基团在可取代位置上用一个或多个基团选自氢、卤、较低的烷基硫、较低的烷基亚砜、较低的烷基磺酰基、氨基磺酰基、较低的烷基、氰基、羧基、较低的烷氧羰基、较低的卤代烷基、羟基、较低的烷氧基、较低的羟基烷基、较低的卤代烷氧基、氨基、较低的烷基氨基、苯基氨基和硝基；其中R4选自氢、较低的烷基和酰基；或其药学上可接受的盐。
• 4,5-substitued imidazolyl compounds for the treatment of inflammation
  申请人：G.D. Searle & Co.

  公开号：EP1211244A2

  公开（公告）日：2002-06-05

  A class of compounds is described for treating inflammation and inflammation-related disorders. Compounds of particular interest are defined by Formula I wherein R1 is selected from lower alkyl, lower haloalkyl, lower hydroxyalkyl, lower alkoxyalkyl, lower alkenyloxyalkyl, mercapto, lower alkylcarbonyl, lower haloalkylcarbonyl, phenylcarbonyl, lower aralkylcarbonyl, lower aralkenyl, lower aryloxyalkyl, lower aralkyloxyalkyl, lower arylsulfonyl, lower aralkylsulfonyl, lower arylthioalkyl, lower heteroarylalkylthioalkyl, and heteroaryl selected from 2-thienyl, 2-furyl, 3-furyl, 2-pyridyl, 4-pyridyl and 2-benzofuryl; wherein R2 and R3 are independently selected from heteroaryl, cycloalkyl and aryl, wherein the heteroaryl, cycloalkyl and aryl radicals are substituted at a substitutable position with one or more radicals selected from hydrido, halo, lower alkylthio, lower alkylsulfinyl, lower alkylsulfonyl, aminosulfonyl, lower alkyl, cyano, carboxyl, lower alkoxycarbonyl, lower haloalkyl, hydroxyl, lower alkoxy, lower hydroxyalkyl, lower alkoxyalkyl, lower haloalkoxy, amino, lower alkylamino, phenylamino and nitro; and wherein R4 is selected from lower alkyl and acyl; or a pharmaceutically-acceptable salt thereof.

  描述了一类用于治疗炎症和炎症相关疾病的化合物。特别感兴趣的化合物由式 I 定义 其中 R1 选自低级烷基、低级卤代烷基、低级羟基烷基、低级烷氧基烷基、低级烯氧基烷基、巯基、低级烷基羰基、低级卤代烷基羰基、苯基羰基、低级芳基羰基、低级芳烯基、低级芳氧基烷基、低级芳烷氧基烷基、低级芳烷氧基烷基、低级芳烷氧基烷基、低级芳烷氧基烷基、低级芳氧基烷基、低级芳氧基烷基、低级芳磺酰基、低级芳磺酰基、低级芳硫基烷基、低级杂芳基硫代烷基，以及选自 2-噻吩基、2-呋喃基、3-呋喃基、2-吡啶基、4-吡啶基和 2-苯并呋喃基的杂芳基；其中 R2 和 R3 独立选自杂芳基、环烷基和芳基，其中杂芳基、环烷基和芳基在可被取代的位置被一个或多个选自氢基、卤素基、低级烷硫基、低级烷亚硫基、低级烷亚基亚磺酰基、低级烷硫基和低级烷亚基亚磺酰基的基团取代、低级烷基亚磺酰基、低级烷基磺酰基、氨基磺酰基、低级烷基、氰基、羧基、低级烷氧基羰基、低级卤代烷基、羟基、低级烷氧基、低级羟基烷基、低级烷氧基烷基、低级卤代烷氧基、氨基、低级烷基氨基、苯基氨基和硝基；其中 R4 选自低级烷基和酰基；或其药学上可接受的盐。
• 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION
  申请人：G.D. SEARLE & CO.

  公开号：EP0772601B1

  公开（公告）日：2002-09-18
• US5620999A
  申请人：——

  公开号：US5620999A

  公开（公告）日：1997-04-15