1-(2,3-dichlorophenyl)-4-(4-hydroxyphenyl)-3-[(thiophen-3-yl)methyl]-2-thioxoimidazolidin-5-one | 959690-22-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: 1-(2,3-dichlorophenyl)-4-(4-hydroxyphenyl)-3-[(thiophen-3-yl)methyl]-2-thioxoimidazolidin-5-one
• 英文别名: 3-(2,3-Dichlorophenyl)-5-(4-hydroxyphenyl)-2-sulfanylidene-1-(thiophen-3-ylmethyl)imidazolidin-4-one
• CAS: 959690-22-3
• 化学式: C₂₀H₁₄Cl₂N₂O₂S₂
• 分子量: 449.381
• InChiKey: FKLFXKWFOPAVIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such
  申请人：Nique Francois

  公开号：US20100063120A1

  公开（公告）日：2010-03-11

  Compounds of formula (I): wherein X is O or S, R 1 is acyl, aldehyde, cycloalkyl, an optionally substituted alkyl, alkenyl or alkynyl, R 2 is H. alkyl, hydroxyalkyl, haloalkyl, alkenyl, or alkynyl; substituted alkyl; alkylcarbonyl; R 3 and R 4 are H, halogen, alkyl, alkenyl, alkynyl, alkoxyl, alkylthio, hydroxyalkyl, haloalkyl, haloalkenyl, or haloalkynyl; or R 3 and R 4 form an, optionally aromatic or heterocyclic, optionally substituted ring, R 5 is H, halogen, trifluoromethyl, —CN, or —NO2; not all of R 3 , R 4 , and R 5 being H, R 6 and R 9 are H, halogen, OH; alkyl. hydroxyalkyl, alkoxyl, thioalkyl, haloalkyl, alkenyl, or alkynyl; R 7 and R 8 are H, halogen, OH, SH; alkoxyl or alkylthio optionally substituted by OH and/or halogen; one of R 7 and R 8 not being H or halogen; or one of R 7 and R 8 is a pharmaceutically acceptable ester or thioester grouping, or R 6 is C 1-3 -alkyl or, together with either R 1 or R 2 , represents C 1-3 alkylene or alkenylene linking group, optionally substituted by methyl, trifluoromethyl, OH, or halogen, and pharmaceutically acceptable salts and esters thereof, are useful as selective androgen modulators.

  式(I)的化合物：其中X为O或S，R1为酰基，醛基，环烷基，或可选择地取代的烷基，烯基或炔基，R2为H，烷基，羟基烷基，卤代烷基，烯基或炔基；取代烷基；烷基羰基；R3和R4为H，卤素，烷基，烯基，炔基，烷氧基，烷硫基，羟基烷基，卤代烷基，卤代烯基，或卤代炔基；或R3和R4形成一个，可选择的芳香或杂环，可选择地取代的环，R5为H，卤素，三氟甲基，-CN，或-NO2；R3，R4和R5中不全为H，R6和R9为H，卤素，羟基；烷基，羟基烷基，烷氧基，硫代烷基，卤代烷基，烯基，或炔基；R7和R8为H，卤素，羟基，硫氢基；烷氧基或烷硫基，可选择地由羟基和/或卤素取代；R7和R8中的一个不为H或卤素；或R7和R8中的一个为药用可接受的酯或硫酯基团，或R6为C1-3-烷基或，与R1或R2中的任一者一起，代表C1-3烷基或烯基链连接基，可选择地由甲基，三氟甲基，羟基，或卤素取代，以及其药用可接受的盐和酯，可用作选择性雄激素调节剂。
• IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH
  申请人：NIQUE Francois

  公开号：US20100210699A1

  公开（公告）日：2010-08-19

  Compounds of formula (I): wherein X is O or S, R 1 is acyl, aldehyde, cycloalkyl, an optionally substituted alkyl, alkenyl or alkynyl, R 2 is H, alkyl, hydroxyalkyl, haloalkyl, alkenyl, or alkynyl; substituted alkyl; alkylcarbonyl; R 3 and R 4 are H, halogen, alkyl, alkenyl, alkynyl, alkoxyl, alkylthio, hydroxyalkyl, haloalkyl, haloalkenyl, or haloalkynyl; or R 3 and R 4 form an, optionally aromatic or heterocyclic, optionally substituted ring, R 5 is H, halogen, trifluoromethyl, —CN, or —NO 2 ; not all of R 3 , R 4 , and R 5 being H, R 6 and R 9 are H, halogen, OH; alkyl, hydroxyalkyl, alkoxyl, thioalkyl, haloalkyl, alkenyl, or alkynyl; R 7 and R 8 are H, halogen, OH, SH; alkoxyl or alkylthio optionally substituted by OH and/or halogen; one of R 7 and R 8 not being H or halogen; or one of R 7 and R 8 is a pharmaceutically acceptable ester or thioester grouping, or R 6 is C 1-3 -alkyl or, together with either R 1 or R 2 , represents C 1-3 alkylene or alkenylene linking group, optionally substituted by methyl, trifluoromethyl, OH, or halogen, and pharmaceutically acceptable salts and esters thereof, are useful as selective androgen modulators.

  化合物式（I）：其中X为O或S，R1为酰基，醛基，环烷基，可选取代的烷基，烯基或炔基，R2为H，烷基，羟基烷基，卤代烷基，烯基或炔基；取代烷基；烷基羰基；R3和R4为H，卤素，烷基，烯基，炔基，烷氧基，烷硫基，羟基烷基，卤代烷基，卤代烯基或卤代炔基；或R3和R4形成一个可选的芳香或杂环，可选取代的环，R5为H，卤素，三氟甲基，—CN或—NO2；R3，R4和R5不全为H，R6和R9为H，卤素，OH；烷基，羟基烷基，烷氧基，硫代烷基，卤代烷基，烯基或炔基；R7和R8为H，卤素，OH，SH；烷氧基或烷硫基，可选取代为OH和/或卤素；R7和R8中的一个不为H或卤素；或R7和R8中的一个是药物可接受的酯或硫酯基团，或R6为C1-3烷基或与R1或R2中的一个共同表示C1-3烷基或烯基链连接基团，可选取代为甲基，三氟甲基，OH或卤素，以及其药物可接受的盐和酯，用作选择性雄激素调节剂。
• US8168667B2
  申请人：——

  公开号：US8168667B2

  公开（公告）日：2012-05-01