2-[4-(2,6-dichloro-4-trifluoromethoxy-phenylamino)-2-fluoro-phenyl]-N-(2-hydroxy-ethyl)propionamide | 1204777-81-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-[4-(2,6-dichloro-4-trifluoromethoxy-phenylamino)-2-fluoro-phenyl]-N-(2-hydroxy-ethyl)propionamide
• 英文别名: 2-[4-[2,6-dichloro-4-(trifluoromethoxy)anilino]-2-fluorophenyl]-N-(2-hydroxyethyl)propanamide
• CAS: 1204777-81-0
• 化学式: C₁₈H₁₆Cl₂F₄N₂O₃
• 分子量: 455.236
• InChiKey: SICMMHJWAZDPAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  70.6
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• [EN] POTASSIUM ION CHANNEL MODULATORS & USES THEREOF<br/>[FR] MODULATEURS DES CANAUX D'IONS DU POTASSIUM ET UTILISATIONS ASSOCIÉES
  申请人：LECTUS THERAPEUTICS LTD

  公开号：WO2010010380A1

  公开（公告）日：2010-01-28

  Compounds of formula (I) and pharmacologically acceptable salts and pro-drugs thereof wherein: Ar1 and Ar2 are aryl or heteroaryl; a is 0 to 5; R1 is alkyl, halogen, haloalkyl, alkoxy, haloalkoxy, alkoxycarbonyl, carboxyl, hydroxyl, amino, monoalkylamino, dialkylamino, nitro, acylamino, alkoxycarbonylamino, alkylsulphonyl, alkylsulphonylamino or cyano and, where a is greater than 1, each substituent R1 may be the same or different; b is 0 to 5; R2 is alkyl, halogen, haloalkyl, haloalkoxy, alkoxy, alkoxycarbonyl, carboxyl, hydroxyl, amino, monoalkylamino, dialkylamino, nitro, acylamino, alkoxycarbonylamino, alkylsulphonyl, alkylsulphonylamino or cyano and where b is greater than 1, each substituent R2 may be the same or different; V is selected from the group consisting of (CR3aR3b)pCON(R3b)X and (CR3aR3b)pN(R3b)CO(X), wherein said groups are in the 3- (meta) or 4- (para) position with respect to the substituent Z; W is selected from the group consisting of NR4a, O, S, S=O, SO2 and C(R4aR4b)2; X is hydrogen, alkyl, hydroxyalkyl, alkoxyalkyl, haloalkoxyalkyl, aryloxyalkyl, cycloalkyl, aryl, heteroaryl, polyalkylene glycol, aminoalkyl, monoalkylaminoalkyl, dialkylaminoalkyl, alkyl that is substituted with a groups of formula of formula NR8R9 wherein R8 and R9 together with the nitrogen atom to which they are attached form a saturated or partially unsaturated heterocyclic group, carboxyalkyl, alkoxycarbonylalkyl, haloalkoxycarbonylalkyl or aralkyloxycarbonylalkyl; Y and Z are the same or different and each is a substituent selected from the group consisting of (CR5aR5b)n1, C=O, SO2, C(=O)NR5a; C(=O)NR5aSO2 and C=O(R5aR5b)n2; R3a, R3b, R4a, R4b, R5a and R5b are the same or different and each is selected from the hydrogen, alkyl, cycloalkyl, aryl and heteroaryl; n1 and n2 are the same or different and each is 0 to 2; and p is 0 to 2; are potassium ion channel modulators, making them particularly useful in treating and preventing conditions such as pain, lower urinary tract disorders and the like.

  化合物公式（I）及其药学上可接受的盐和前药，其中：Ar1和Ar2是芳基或杂芳基；a为0至5；R1为烷基，卤素，卤代烷基，烷氧基，卤代烷氧基，烷氧羰基，羧基，羟基，氨基，单烷基氨基，双烷基氨基，硝基，酰胺基，烷氧羰基胺基，烷基磺酰基，烷基磺酰胺基或氰基，当a大于1时，每个取代基R1可以相同或不同；b为0至5；R2为烷基，卤素，卤代烷基，卤代烷氧基，烷氧基，烷氧羰基，羧基，羟基，氨基，单烷基氨基，双烷基氨基，硝基，酰胺基，烷氧羰基胺基，烷基磺酰基，烷基磺酰胺基或氰基，当b大于1时，每个取代基R2可以相同或不同；V从以下群组中选择：（CR3aR3b）pCON（R3b）X和（CR3aR3b）pN（R3b）CO（X），其中所述群组在取代基Z的3-（meta）或4-（para）位置上选择；W从以下群组中选择：NR4a，O，S，S=O，SO2和C（R4aR4b）2；X为氢，烷基，羟基烷基，烷氧基烷基，卤代烷氧基烷基，芳氧基烷基，环烷基，芳基，杂芳基，多烷基氧基乙烯，氨基烷基，单烷基氨基烷基，双烷基氨基烷基，烷基，该烷基被公式NR8R9的基团取代，其中R8和R9与它们所连接的氮原子形成饱和或部分不饱和的杂环基团，羧基烷基，烷氧羰基烷基，卤代烷氧羰基烷基或芳基氧羰基烷基；Y和Z相同或不同，每个都是从以下取代基中选择：（CR5aR5b）n1，C=O，SO2，C（=O）NR5a；C（=O）NR5aSO2和C=O（R5aR5b）n2；R3a，R3b，R4a，R4b，R5a和R5b相同或不同，每个都是从氢，烷基，环烷基，芳基和杂芳基中选择；n1和n2相同或不同，每个为0至2；p为0至2；是钾离子通道调节剂，使它们在治疗和预防疼痛，下尿路障碍等疾病方面特别有用。
• POTASSIUM ION CHANNEL MODULATORS & USES THEREOF
  申请人：Edwards Simon David

  公开号：US20110245250A1

  公开（公告）日：2011-10-06

  Compounds of formula (I) and pharmacologically acceptable salts and pro-drugs thereof wherein: Ar 1 and Ar 2 are aryl or heteroaryl; a is 0 to 5; R 1 is alkyl, halogen, haloalkyl, alkoxy, haloalkoxy, alkoxycarbonyl, carboxyl, hydroxyl, amino, monoalkylamino, dialkylamino, nitro, acylamino, alkoxycarbonylamino, alkylsulphonyl, alkylsulphonylamino or cyano and, where a is greater than 1, each substituent R 1 may be the same or different; b is 0 to 5; R 2 is alkyl, halogen, haloalkyl, haloalkoxy, alkoxy, alkoxycarbonyl, carboxyl, hydroxyl, amino, monoalkylamino, dialkylamino, nitro, acylamino, alkoxycarbonylamino, alkylsulphonyl, alkylsulphonylamino or cyano and where b is greater than 1, each substituent R 2 may be the same or different; V is selected from the group consisting of (CR 3a R 3b ) p CON(R 3b )X and (CR 3a R 3b ) p N(R 3b )CO(X), wherein said groups are in the 3- (meta) or 4- (para) position with respect to the substituent Z; W is selected from the group consisting of NR 4a , O, S, S═O, SO 2 and C(R 4a R 4b ) 2 ; X is hydrogen, alkyl, hydroxyalkyl, alkoxyalkyl, haloalkoxyalkyl, aryloxyalkyl, cycloalkyl, aryl, heteroaryl, polyalkylene glycol, aminoalkyl, monoalkylaminoalkyl, dialkylaminoalkyl, alkyl that is substituted with a groups of formula of formula NR8R9 wherein R8 and R9 together with the nitrogen atom to which they are attached form a saturated or partially unsaturated heterocyclic group, carboxyalkyl, alkoxycarbonylalkyl, haloalkoxycarbonylalkyl or aralkyloxycarbonylalkyl; Y and Z are the same or different and each is a substituent selected from the group consisting of (CR 5a R 5b ) n1 , C═O, SO 2 , C(═O)NR 5a ; C(═O)NR 5a SO 2 and C═O(R 5a R 5b ) n2 ; R 3a , R 3b , R 4a , R 4b , R 5a and R 5b are the same or different and each is selected from the hydrogen, alkyl, cycloalkyl, aryl and heteroaryl; n1 and n2 are the same or different and each is 0 to 2; and p is 0 to 2; are potassium ion channel modulators, making them particularly useful in treating and preventing conditions such as pain, lower urinary tract disorders and the like.

  式（I）化合物及其药学上可接受的盐和前药，其中：Ar1和Ar2是芳基或杂芳基；a为0至5；R1是烷基、卤素、卤代烷基、烷氧基、卤代烷氧基、烷氧羰基、羧基、羟基、氨基、单烷基氨基、双烷基氨基、硝基、酰基氨基、烷氧羰基氨基、烷基磺酰基、烷基磺酰氨基或氰基，当a大于1时，每个取代基R1可以相同或不同；b为0至5；R2是烷基、卤素、卤代烷基、卤代烷氧基、烷氧基、烷氧羰基、羧基、羟基、氨基、单烷基氨基、双烷基氨基、硝基、酰基氨基、烷氧羰基氨基、烷基磺酰基、烷基磺酰氨基或氰基，当b大于1时，每个取代基R2可以相同或不同；V选择自（CR3aR3b）pCON（R3b）X和（CR3aR3b）pN（R3b）CO（X）的群，其中所述群在相对于取代基Z的3-（间位）或4-（对位）位置上；W选择自NR4a、O、S、S═O、SO2和C（R4aR4b）2的群；X是氢、烷基、羟基烷基、烷氧基烷基、卤代烷氧基烷基、芳基氧基烷基、环烷基、芳基、杂芳基、聚乙二醇烷基、氨基烷基、单烷基氨基烷基、双烷基氨基烷基、烷基，其被式NR8R9的式的基团取代，其中R8和R9与它们所连接的氮原子形成饱和或部分不饱和的杂环基团，羧基烷基、烷氧羰基烷基、卤代烷氧羰基烷基或芳基氧羰基烷基；Y和Z相同或不同，每个都是从（CR5aR5b）n1、C═O、SO2、C（═O）NR5a、C（═O）NR5aSO2和C═O（R5aR5b）n2的群中选择的取代基；R3a、R3b、R4a、R4b、R5a和R5b相同或不同，每个都是从氢、烷基、环烷基、芳基和杂芳基中选择的；n1和n2相同或不同，每个都是0至2；p为0至2；是钾离子通道调节剂，特别适用于治疗和预防疼痛、下尿路障碍等疾病。
• POTASSIUM ION CHANNEL MODULATORS&USES THEREOF
  申请人：Ramot at Tel Aviv University Limited

  公开号：EP2310357A1

  公开（公告）日：2011-04-20
• JP2011529037A
  申请人：——

  公开号：JP2011529037A

  公开（公告）日：2011-12-01
• US9464052B2
  申请人：——

  公开号：US9464052B2

  公开（公告）日：2016-10-11