dl-threo-2-(2,4-difluorophenyl)-3-methyl-sulfonyl-1-(1H-1,2,4-triazol-1-yl)-butan-2-ol | 121650-83-7

• 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: dl-threo-2-(2,4-difluorophenyl)-3-methyl-sulfonyl-1-(1H-1,2,4-triazol-1-yl)-butan-2-ol
• 英文别名: Genaconazole；threo-2-(2,4-difluorophenyl)-3-methylsulfonyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol；2-(2,4-difluorophenyl)-3-methylsulfonyl-1-(1,2,4-triazol-1-yl)butan-2-ol；threo-2-(2,4-difluorophenyl)-3-methylsulfonyl-1-(1,2,4-triazol-1-yl)butan-2-ol；(+/-) (2R*, 3R*)-2-(2,4-difluorophenyl)-3-methylsulfonyl-1-(1,2,4-triazol-1-yl)butan-2-ol
• CAS: 121650-83-7
• 化学式: C₁₃H₁₅F₂N₃O₃S
• 分子量: 331.343
• InChiKey: HFGZFHCWKKQGIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  22
• 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：
  93.5
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  threo-2-(2,4-difluorophenyl)-3-methylthio-1-(1H-1,2,4-triazol-1-yl)butan-2-ol 在 双氧水 作用下， 以 甲醇 、 水 为溶剂， 生成 dl-threo-2-(2,4-difluorophenyl)-3-methyl-sulfonyl-1-(1H-1,2,4-triazol-1-yl)-butan-2-ol
  参考文献：
  名称：

  Process for preparation of sulfone derivatives

  摘要：

  一种制备磺醚衍生物的方法，其化学式为：其中R¹和R²分别为氢原子、低碳烷基或取代或未取代的环(低)烷基、环(低)烷基甲基、低烯基、杂环、芳基或芳基(低)烷基，R⁴、R⁵、R⁶和R⁷分别为氢原子、低碳烷基、低烯基或取代或未取代的芳基，Az为1,2,4-或1,3,4-三唑或咪唑环，包括将化学式为的磺醚或亚砜化合物置于氧化剂的存在下与金属催化剂一起氧化，其中R¹、R²、R⁴、R⁵、R⁶、R⁷和Az如上定义，n为0或1的整数。

  公开号：

  EP0322800A1

文献信息

• Selective production of threo-epoxy compounds
  申请人：Sumitomo Pharmaceuticals Company, Limited

  公开号：US05159089A1

  公开（公告）日：1992-10-27

  A process for selective production of a threo-epoxy compound of the formula: ##STR1## wherein Ar is a substituted or unsubstituted phenyl group and R.sup.1 and R.sup.2 are each a lower alkyl group, which comprises reacting a ketone compound of the formula: ##STR2## wherein Ar, R.sup.1 and R.sup.2 are each as defined above with a sulfur methylide of the formula: ##STR3## wherein A is a lower alkyl group or a substituted or unsubstituted phenyl group and B is a lower alkyl group, a substituted or unsubstituted phenyl group or a di(lower)-alkylamino group in an aqueous organic solvent.

  一种选择性制备式的threo-环氧化合物的方法：其中Ar是取代或未取代的苯基，R.sup.1和R.sup.2分别是较低的烷基基团，包括将式的酮化合物与下式的硫甲基化合物反应在水有机溶剂中：
• Novel Water-Soluble Prodrugs
  申请人：Umeda Isao

  公开号：US20080015157A1

  公开（公告）日：2008-01-17

  An objective of the present invention is to provide water-soluble prodrugs that can be administered parenterally, and which show excellent water solubility and small interspecies or individual differences and are rapidly converted to the active form by chemical conversion. This invention provides water-soluble prodrugs represented by formula (1), or pharmaceutically acceptable salts, or hydrates or solvates thereof, (wherein, R 1 represents a hydrogen atom, or C1-C6 alkyl group; W represents a divalent group comprising a tertiary amino group or sulfonyl group; and Y represents a residue of a compound represented by Y—OH comprising an alcoholic hydroxyl group).

  本发明的目的是提供可经由肌肉注射给药的水溶性前药，其具有优异的水溶性、小的种间或个体差异，并且可通过化学转化迅速转化为活性形式。本发明提供了由式(1)表示的水溶性前药，或其药学上可接受的盐、水合物或溶剂化物，其中R1代表氢原子或C1-C6烷基；W代表包含三级胺基或磺酰基的二价基团；Y代表由Y-OH表示的化合物的残基，该化合物包括醇羟基。
• N-phenyl substituted carbamoyloxyalkyl-azolium derivatives
  申请人：Fukuda Hiroshi

  公开号：US20050038038A1

  公开（公告）日：2005-02-17

  N-substituted carbamoyloxyalkyl-azolium derivatives Which have antifungal activity and are useful for the treatment of fungal diseases.

  N-取代的氨基甲酰氧基烷基-唑烷盐衍生物，具有抗真菌活性，可用于治疗真菌病。
• N-substituted carbamoyloxyalkyl-azolium derivatives
  申请人：Fukuda Hiroshi

  公开号：US20070027322A1

  公开（公告）日：2007-02-01

  N-substituted carbamoyloxyalkyl-azolium derivatives which have antifungal activity and are useful for the treatment of fungal diseases.

  N-取代的氨基甲酰氧烷基-唑状衍生物具有抗真菌活性，可用于治疗真菌病。
• Optical resolution of sulfone derivatives
  申请人：SUMITOMO PHARMACEUTICALS COMPANY, LIMITED

  公开号：EP0405502A2

  公开（公告）日：1991-01-02

  A method for the optical resolution of sulfone derivatives, which comprises reacting a mixture of the d- and 1-isomers of a sulfone derivative of the formula: wherein X¹ and X² are each and independently a hydrogen atom or a halogen atom with optically active 10-camphorsulfonic acid to make a mixture of two kinds of diastereomer salts between them, isolating one of the diastereomer salts from said dia­stereomer salt mixture on the difference of the diastereomer salts in solubility and decomposing the isolated dia­stereomer salt.

  一种用于光学分辨磺酮衍生物的方法，包括将式子为的磺酮衍生物的d-和1-异构体混合物与具有光学活性的10-樟脑磺酸反应，制备两种对映异构体盐的混合物，通过对映异构体盐在溶解度上的差异分离其中的一种对映异构体盐，并分解所分离的对映异构体盐。