2-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile

• 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-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
• 化学式: C₁₃H₈F₃N₃
• 分子量: 263.222
• InChiKey: VJLAORDZNVXQFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  48.7
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile 在 sodium azide 、 potassium carbonate 、 氯化铵 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 32.0h， 生成 2-(5-(2-((4-(trifluoromethyl)phenyl)amino)pyridin-3-yl)-2H-tetrazol-2-yl)ethanol
  参考文献：
  名称：

  [EN] NON-FUSED TRICYCLIC COMPOUNDS
  [FR] COMPOSÉS TRICYCLIQUES NON FUSIONNÉS

  摘要：

  本文提供了包含所述化合物的化合物和药物组合物，用于治疗癌症。具体的癌症包括那些由YAP/TAZ介导或由YAP/TAZ与TEAD相互作用调节的癌症。

  公开号：

  WO2018204532A1
• 作为产物：
  描述：

  2-氯-3-氰基吡啶 、 对三氟甲基苯胺 在 palladium diacetate 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 1,4-二氧六环 为溶剂， 反应 9.0h， 以42.1%的产率得到2-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
  参考文献：
  名称：

  [EN] HETEROARYL COMPOUNDS
  [FR] COMPOSÉS HÉTÉROARYLES

  摘要：

  本文提供了包含所述化合物的药物组合物，用于治疗癌症。具体的癌症包括那些由YAP/TAZ介导或由YAP/TAZ与TEAD之间相互作用调节的癌症。

  公开号：

  WO2021102204A1

文献信息

• [EN] 1,2,4-OXADIAZOL-5-ONE DERIVATIVES FOR THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE LA 1,2,4-OXADIAZOL-5-ONE POUR LE TRAITEMENT DU CANCER
  申请人：BASILEA PHARM INT AG

  公开号：WO2021018869A1

  公开（公告）日：2021-02-04

  The invention provides compounds of formula (I) and pharmaceutically acceptable salts thereof, wherein A1 is -N= or -C(R3)=; A2 is -N= or -CH=; L is -NH-; B1 and B2 are independently -N= or -C(R2b)=; B3 and B4 are independently -C(R2b)=; no more than one R2b on B1, B2, B3 and B4 is other than hydrogen; R1a is hydrogen, halogen, C1-C3alkyl (n-alkyl) optionally substituted with one R4, or R1a is -NH2, -NH(C1-C3alkyl (n-alkyl)), -NH(C(=O)-C1-C2alkyl), -N(C1-C3alkyl (n-alkyl))2, -OC1-C3alkyl (n-alkyl), C1-C3haloalkyl (n-alkyl) or -OC1-C3haloalkyl (n-alkyl); R1b is hydrogen, halogen, C1-C3alkyl (n-alkyl), -OC1-C3alkyl (n-alkyl), -NH2, -NH(C1-C3alkyl (n- alkyl)) or -N(C1-C3alkyl (n-alkyl))2; R1a and R1b may together form a -CH=CH-CH=CH- moiety in which one or two non-adjacent CH are optionally replaced by N; R2a is halogen, C1-C6alkyl, C1-C6haloalkyl, cyclopropyl, cyclobutyl, -OR6, -NHC(=O)-C3- C6cycloalkyl, Cycle Q, -SF5 or group Y (formula (Y)); wherein X is a 3- or 4-membered carbocyclic ring and R8 is halogen, cyano, C1-C6alkyl, C1-C6haloalkyl or -C1-C6alkyl-CN; and wherein R2b, R3, R4, R6 and R8 are as defined in the claims; as well as methods of using the compounds to treat neoplastic diseases, in particular cancer.

  该发明提供了化合物的结构式（I）及其药用可接受的盐，其中A1为-N=或-C(R3)=；A2为-N=或-CH=；L为-NH-；B1和B2分别为-N=或-C(R2b)=；B3和B4分别为-C(R2b)=；B1、B2、B3和B4中不超过一个R2b为氢以外的其他基团；R1a为氢、卤素、C1-C3烷基（n-烷基），可选地取代一个R4，或者R1a为-NH2、-NH（C1-C3烷基（n-烷基））、-NH（C（=O）-C1-C2烷基）、-N（C1-C3烷基（n-烷基））2、-OC1-C3烷基（n-烷基）、C1-C3卤代烷基（n-烷基）或-OC1-C3卤代烷基（n-烷基）；R1b为氢、卤素、C1-C3烷基（n-烷基）、-OC1-C3烷基（n-烷基）、-NH2、-NH（C1-C3烷基（n-烷基））或-N（C1-C3烷基（n-烷基））2；R1a和R1b可以共同形成一个-CH=CH-CH=CH-基团，其中一个或两个非相邻的CH原子可选择性地被N替代；R2a为卤素、C1-C6烷基、C1-C6卤代烷基、环丙基、环丁基、-OR6、-NHC（=O）-C3-C6环烷基、Cycle Q、-SF5或基团Y（式（Y））；其中X为3-或4-成员的碳环烷基，R8为卤素、氰基、C1-C6烷基、C1-C6卤代烷基或-C1-C6烷基-CN；R2b、R3、R4、R6和R8如权利要求中所定义；以及使用这些化合物治疗肿瘤性疾病，特别是癌症的方法。
• Non-fused tricyclic compounds
  申请人：VIVACE THERAPEUTICS, INC.

  公开号：US11186554B2

  公开（公告）日：2021-11-30

  Provided herein are compounds and pharmaceutical compositions comprising said compounds that are useful for treating cancers. Specific cancers include those that are mediated by YAP/TAZ or those that are modulated by the interaction between YAP/TAZ and TEAD.

  本文提供了可用于治疗癌症的化合物和包含所述化合物的药物组合物。特定癌症包括由 YAP/TAZ 介导的癌症或由 YAP/TAZ 与 TEAD 之间的相互作用调节的癌症。
• NON-FUSED TRICYCLIC COMPOUNDS
  申请人：Vivace Therapeutics, Inc.

  公开号：EP3618818A1

  公开（公告）日：2020-03-11
• 1,2,4-OXADIAZOL-5-ONE DERIVATIVES FOR THE TREATMENT OF CANCER
  申请人：Basilea Pharmaceutica International AG

  公开号：US20220402900A1

  公开（公告）日：2022-12-22

  The invention provides compounds of formula (I) and pharmaceutically acceptable salts thereof, wherein A1 is —N═ or —C(R3)=; A2 is —N═ or —CH═; L is —NH—; B1 and B2 are independently —N═ or —C(R2b)=; B3 and B4 are independently —C(R2b)=; no more than one R2b on B1, B2, B3 and B4 is other than hydrogen; R1a is hydrogen, halogen, C1-C3alkyl (n-alkyl) optionally substituted with one R4, or R1a is —NH 2 , —NH(C1-C3alkyl (n-alkyl)), —NH(C(═O)—C1-C2alkyl), —N(C1-C3alkyl (n-alkyl)) 2 , —OC1-C3alkyl (n-alkyl), C1-C3haloalkyl (n-alkyl) or —OC1-C3haloalkyl (n-alkyl); R1b is hydrogen, halogen, C1-C3alkyl (n-alkyl), —OC1-C3alkyl (n-alkyl), —NH 2 , —NH(C1-C3alkyl (n-alkyl)) or —N(C1-C3alkyl (n-alkyl)) 2 ; R1a and R1b may together form a —CH═CH—CH═CH— moiety in which one or two non-adjacent CH are optionally replaced by N; R2a is halogen, C1-C6alkyl, C1-C6haloalkyl, cyclopropyl, cyclobutyl, —OR6, —NHC(═O)—C3-C6cycloalkyl, Cycle Q, —SF 5 or group Y (formula (Y)); wherein X is a 3- or 4-membered carbocyclic ring and R8 is halogen, cyano, C1-C6alkyl, C1-C6haloalkyl or —C1-C6alkyl-CN; and wherein R2b, R3, R4, R6 and R8 are as defined in the claims; as well as methods of using the compounds to treat neoplastic diseases, in particular cancer.
• [EN] NON-FUSED TRICYCLIC COMPOUNDS<br/>[FR] COMPOSÉS TRICYCLIQUES NON FUSIONNÉS
  申请人：VIVACE THERAPEUTICS INC

  公开号：WO2018204532A1

  公开（公告）日：2018-11-08

  Provided herein are compounds and pharmaceutical compositions comprising said compounds that are useful for treating cancers. Specific cancers include those that are mediated by YAP/TAZ or those that are modulated by the interaction between YAP/TAZ and TEAD.

  本文提供了包含所述化合物的化合物和药物组合物，用于治疗癌症。具体的癌症包括那些由YAP/TAZ介导或由YAP/TAZ与TEAD相互作用调节的癌症。