2-{1-(4-Phenoxyphenyl)-1-hydroxyethan-1-yl}-1,3,5-trithiane

• 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: 2-{1-(4-Phenoxyphenyl)-1-hydroxyethan-1-yl}-1,3,5-trithiane
• 英文别名: 1-(4-phenoxyphenyl)-1-(1,3,5-trithian-2-yl)ethanol
• 化学式: C₁₇H₁₈O₂S₃
• 分子量: 350.527
• InChiKey: XNKHVKUBOVXIPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,3,5-三噻烷 生成 2-{1-(4-Phenoxyphenyl)-1-hydroxyethan-1-yl}-1,3,5-trithiane
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• 1,3,5-trithian derivatives and pharmaceutical compositions
  申请人：Nihon Nohyaku Co. Ltd.

  公开号：US04816475A1

  公开（公告）日：1989-03-28

  An anti-arteriosclerotic or anti-hyperlipemic 1,3,5-trithiane derivative according to the formula (I): ##STR1## a pharmaceutical composition containing the same, and a process for producing the same.

  根据公式(I)的抗动脉硬化或抗高脂血症的1,3,5-三硫杂环己烷衍生物，含有该衍生物的药物组合物，以及生产该衍生物的方法。
• 1,3,5-trithiane derivatives and pharmaceutical compositions thereof
  申请人：Nihon Nohyaku Co., Ltd.

  公开号：US05045562A1

  公开（公告）日：1991-09-03

  1,3,5-trithiane derivatives represented by the formula (I) ##STR1## wherein the substituents are defined herein, are disclosed. The trithiane derivatives and their compositions are useful as anti-arteriosclerotic or anti-hyperlipemic agents.

  公开了由公式（I）表示的1,3,5-三硫杂环己烷衍生物，其中取代基在此定义，这些三硫杂环己烷衍生物及其组合物可用作抗动脉硬化或抗高脂血症药物。
• 1,3,5-Trithian derivatives
  申请人：NIHON NOHYAKU CO., LTD.

  公开号：EP0253370A1

  公开（公告）日：1988-01-20

  A 1,3,5-trithiane derivative represented by the general formula (I): wherein R1 is a hydrogen atom, R2 is a hydrogen atom, a hydroxyl group or an imidazolyl group, or R2, when taken together with R1, forms a double bond between the carbon atom of the trithiane ring and the one to which R3 and R4 are bonded, R3 is a hydrogen atom; an unsubstituted-phenyl group; a substituted-phenyl group having one or two substituents selected from the group consisting of halogen atoms, Ci-to C5- alkyl groups, Ci-to Cs-haloalkyl groups, C3-to C7-cycloalkyl groups, hydroxyl group, Ci-to C5-alkoxy groups (whose alkyl portion is optionally substituted by a morpholino group, an N-substituted-piperazino group having a C1-to C3-alkyl group as the substituent, a C3-to C10-alkoxycarbonyl group, a phenyl group or a halophenyl group), C3-to C7-cycloalkoxy groups, phenoxy group (whose phenyl portion is optionally substituted by a halogen atom, a C1-to C5-alkyl group or a C1-to C5-alkoxy group), phenylthio group, phenylsulfinyl group, nitro group, N,N-C2-to C8-dialkylamino groups, morpholino group, imidazolyl group, phenyl group, halophenyl groups, phenylalkyl groups and pyridyl group; a heteroaromatic group; a polycyclic fused ring group; a substituted-C1-to C5-alkyl group having a phthalimido-1-yl group or a phenoxyphenyl group as the substituent; or a halostyryl group, or R3, when taken together with R2, forms a C1-to C9-alkylidene group, R4 is a hydrogen atom; a C1-C8-alkyl group (which is optionally substituted by a halogen atom, a C2-to C5-alkoxycarbonyl group, a hydroxycarbonyl group, hydroxy group or a C1-to C5- alkoxy group); a C15-to C20-alkenylene group; an unsubstituted-phenyl group; a substituted-phenyl group having one or two substituents selected from the group consisting of halogen atoms, C1-to Cs-alkyl groups, C1-to C9-haloalkyl groups, C1-to C5-alkylthio groups, C2-to Cs-alkoxycarbonyl groups and hydroxycarbonyl group; or a halostyryl group, or R3 and R4, when taken together with the carbon atom to which they are bonded, represent a fluoren-9-ylidene group, each of ℓ, m and n is zero or an integer of 1 or 2, and R4 is a group other than phenyl group in the case where R3 is a phenyl group, a pharmaceutical composition containing the same, and a process for producing the same.

  由通式(I)代表的1,3,5-三噻烷衍生物： 其中 R1 是氢原子，R2 是氢原子、羟基或咪唑基，或 R2 与 R1 结合时，在三噻烷环的碳原子与 R3 和 R4 所结合的碳原子之间形成双键，R3 是氢原子；未取代的苯基；具有一个或两个取代基的取代苯基，取代基选自由卤素原子、Ci-C5-烷基、Ci-Cs-卤代烷基、C3-C7-环烷基、羟基、Ci-C5-烷氧基（其烷基部分可选择被吗啉基、以 C1-C3-烷基为取代基的 N-取代哌嗪基、C3-C10-烷氧基羰基）组成的组、C3-C7-环烷氧基、苯氧基（其苯基部分可选择被卤素原子、C1-C5-烷基或 C1-C5-烷氧基取代）、苯硫基、苯亚磺酰基、硝基、N,N-C2-C8-二烷基氨基、吗啉基、咪唑基、苯基、卤代苯基、苯基烷基和吡啶基；杂芳香族基团多环融合环基；以邻苯二甲酰亚胺基或苯氧基苯基为取代基的取代的 C1-C5 烷基；或卤代苯乙烯基；或 R3 与 R2 结合形成 C1-C9 亚烷基，R4 为氢原子；C1-C8-烷基（可选择被卤素原子、C2-C5-烷氧基羰基、羟基羰基、羟基或 C1-C5- 烷氧基取代）； C15-C20- 烯基； 未取代苯基具有一个或两个取代基的取代苯基，取代基可选自由卤素原子、C1-Cs-烷基、C1-C9-卤代烷基、C1-C5-烷硫基、C2-Cs-烷氧基羰基和羟基羰基组成的组；或卤代苯乙烯基团，或 R3 和 R4 与它们所键合的碳原子一起代表芴-9-亚基，其中 ℓ、m 和 n 各为零或 1 或 2 的整数，在 R3 为苯基的情况下，R4 为除苯基以外的基团。
• ——
  作者：

  DOI：——

  日期：——
• NAGAMINE, MASASHI;HIRAGA, KUNIKAZU;SAKAI, ATSUSHI;UCHIDA, MATAZAEMON
  作者：NAGAMINE, MASASHI、HIRAGA, KUNIKAZU、SAKAI, ATSUSHI、UCHIDA, MATAZAEMON

  DOI：——

  日期：——