(4-(methylsulfonyl)benzyI)triphenylphosphonium chloride

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (4-(methylsulfonyl)benzyI)triphenylphosphonium chloride
• 英文别名: 4-(Methylsulfonyl)phenylmethyl triphenylphosphonium Chloride；(4-methylsulfonylphenyl)methyl-triphenylphosphanium;chloride
• 化学式: C₂₆H₂₄O₂PS*Cl
• 分子量: 466.968
• InChiKey: KDXXDXIWKHSKHP-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.59
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4-(methylsulfonyl)benzyI)triphenylphosphonium chloride 在 potassium permanganate 、 乙酸酐 、 乙醇锂 作用下， 以 乙醇 为溶剂， 生成 1-(4-甲烷磺酰基-苯基)-2-苯基-1,2-乙二酮
  参考文献：
  名称：

  抗炎4,5-二芳基咪唑类作为选择性环氧合酶抑制剂。

  摘要：

  描述了一系列4,5-二芳基咪唑类似物的合成和活性。一种类似物的IC50为80 nM，对COX-1具有6750选择性，并在小鼠气袋模型中显示出体内效力。

  DOI：

  10.1016/s0960-894x(98)00627-1
• 作为产物：
  描述：

  三苯基膦 、 对甲砜基氯苄 以 甲苯 为溶剂， 以85%的产率得到(4-(methylsulfonyl)benzyI)triphenylphosphonium chloride
  参考文献：
  名称：

  抗炎4,5-二芳基咪唑类作为选择性环氧合酶抑制剂。

  摘要：

  描述了一系列4,5-二芳基咪唑类似物的合成和活性。一种类似物的IC50为80 nM，对COX-1具有6750选择性，并在小鼠气袋模型中显示出体内效力。

  DOI：

  10.1016/s0960-894x(98)00627-1

文献信息

• HIV PROTEASE INHIBITORS
  申请人：MCCAULEY John A.

  公开号：US20170217986A1

  公开（公告）日：2017-08-03

  The present invention is directed to 2,6-morpholine derivatives of Formula (I): and pharmaceutically acceptable salts thereof, wherein Z 1 , Z 2 , V 1 , V 2 , V 3 , R 6 , R 6A , and X are defined herein. The invention also relates to methods of using the 2,6-morpholine derivatives of the invention for the inhibition of HV protease, the inhibition of HV replication, the prophylaxis of infection by HIV, the treatment of infection by HIV, and the prophylaxis, treatment, and delay in the onset or progression of AIDS. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.

  本发明涉及Formula (I)的2,6-吗啉衍生物及其药用盐，其中Z1、Z2、V1、V2、V3、R6、R6A和X在此被定义。该发明还涉及使用该发明的2,6-吗啉衍生物来抑制HV蛋白酶、抑制HV复制、预防HIV感染、治疗HIV感染以及预防、治疗和延缓艾滋病的发作或进展的方法。这些化合物及其盐可作为药物组合物中的成分使用，可选择性地与其他抗病毒药物、免疫调节剂、抗生素或疫苗结合使用。
• SUBSTITUTED ISOXAZOLE AMINE COMPOUNDS AS INHIBITORS OF SCD1
  申请人：HOFFMANN-LA ROCHE INC.

  公开号：US20150315160A1

  公开（公告）日：2015-11-05

  The invention is concerned with a compound of formula (I) wherein R1 to R3 are defined as in the description and in the claims. The compound of formula (I) can be used as a medicament.

  这项发明涉及一种化合物，其化学式为（I），其中R1至R3的定义如描述和索赔中所述。化合物的化学式（I）可用作药物。
• [EN] 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION<br/>[FR] COMPOSES D'IMIDAZOLYLE SUBSTITUES EN POSITIONS 4 ET 5, CONVENANT AU TRAITEMENT DE L'INFLAMMATION
  申请人：G.D. SEARLE & CO.

  公开号：WO1996003387A1

  公开（公告）日：1996-02-08

  (EN) 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 hydrido, lower alkyl and acyl; or a pharmaceutically acceptable salt thereof.(FR) La présente invention concerne une classe de composés convenant au traitement de l'inflammation et des troubles liés à l'inflammation. Les composés concernés en l'occurrence sont décrits par la formule générale (I). Dans cette formule générale (I), 'R1' est choisi parmi alkyle inférieur, haloalkyle inférieur, hydroxyalkyle inférieur, alcoxyalkyle inférieur, alcényloxyalkyle inférieur, mercapto, alkylcarbonyle inférieur, haloalkylcarbonyle inférieur, phénylcarbonyle, aralkylcarbonyle inférieur, aralcényle inférieur, aryloxyalkyle inférieur, aralkyloxyalkyle inférieur, arylsulfonyle inférieur, aralkylsulfonyle inférieur, arylthioalkyle inférieur, hétéroarylalkylthioalkyle inférieur, et hétéroaryle choisi parmi 2-thiényle, 2-furyle, 3-furyle, 2-pyridyle, 4-pyridyle et 2-benzofuryle. Dans la formule générale (I), 'R2' et 'R3' sont choisis séparément parmi hétéroaryle, cycloalkyle et aryle, les radicaux hétéroaryle, cycloalkyle et aryle étant substitués à des positions admettant la substitution par un ou plusieurs radicaux choisis parmi hydrido, halo, alkylthio inférieur, alkylsulfinyle inférieur, alkylsulfonyle inférieur, aminosulfonyle, alkyle inférieur, cyano, carboxyle, alcoxycarbonyle inférieur, haloalkyle inférieur, hydroxyle, alcoxy inférieur, hydroxyalkyle inférieur, alcoxyalkyle inférieur, haloalcoxy inférieur, amino, alkylamino inférieur, phénylamino et nitro. Dans la formule générale (I), 'R4' est choisi parmi hydrido, alkyle inférieur et acyle. L'invention concerne également des sels de ces composés de formule générale qui sont pharmaceutiquement acceptables.

  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从较低的烷基，较低的卤代烷基，较低的羟基烷基，较低的氧烷基，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，较低的杂环芳基烷基硫代烷基和杂环芳基，所述杂环芳基选择自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分别选择自杂环芳基，环烷基和芳基，其中杂环芳基，环烷基和芳基基团在可取代位置上用一个或多个基团进行取代，所述基团选择自氢基，卤素基，较低的烷基硫基，较低的烷基亚砜基，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，较低的氧烷基，较低的羟基烷基，较低的氧烷基烷基，较低的卤代氧烷基，氨基，较低的烷基氨基，苯基氨基和硝基；其中R4选择自氢基，较低的烷基和酰基；或其药学上可接受的盐。
• 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。