5-bromo-2-fluoro-4-(trifluoromethyl)aniline | 1807257-70-0

• 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: 5-bromo-2-fluoro-4-(trifluoromethyl)aniline
• CAS: 1807257-70-0
• 化学式: C₇H₄BrF₄N
• 分子量: 258.013
• InChiKey: ZTJHVPIGVGDGOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-bromo-2-fluoro-4-(trifluoromethyl)aniline 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 四(三苯基膦)钯 、 potassium acetate 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成
  参考文献：
  名称：

  一种含氮多环化合物、其药物组合物及应用

  摘要：

  本发明公开了一种含氮多环化合物、其药物组合物及应用。本发明的含氮多环化合物为如式I所示的含氮多环化合物、其药学上可接受的盐、其立体异构体、其互变异构体或其同位素化合物。本发明的含氮多环化合物有望用于治疗和/或预防与Ras相关的多种疾病。#imgabs0#

  公开号：

  CN117777164A
• 作为产物：
  描述：

  3-溴-4-(三氟甲基)苯胺 在 Selectfluor 作用下， 以 乙腈 为溶剂， 生成 5-bromo-2-fluoro-4-(trifluoromethyl)aniline
  参考文献：
  名称：

  COMPOUNDS, COMPOSITIONS, AND METHODS

  摘要：

  The present disclosure relates generally to small molecule inhibitors of axonal degeneration, or a pharmaceutically acceptable salt, isotopically enriched analog, stereoisomer, mixture of stereoisomers, or prodrug thereof, methods of making and intermediates thereof, and methods of using thereof.

  公开号：

  WO2024130166A2

文献信息

• [EN] COMPOUNDS<br/>[FR] COMPOSÉS
  申请人：PATHIOS THERAPEUTICS LTD

  公开号：WO2022229615A1

  公开（公告）日：2022-11-03

  One aspect of the invention relates to a compound of formula (I), or a pharmaceutically acceptable salt or solvate thereof, (I) ring A is an is optionally substituted 5 or 6 membered aromatic or heteroaromatic ring; Y is selected from CH2, C=N-OH, and CR10R10'; Raand Rbare each independently selected from H and alkyl; Z is selected from O, S, NR17and CR18; X is selected from O and NH; p is 0, 1 or 2; q is 0 or 1; and r is 0 or 1; wherein at least one of p, q and r is other than zero, and with the proviso that: (i) when r is 0, p is 1 and q is 1, when X is NH, Z is other than O; (ii) when r and q are both 0, and p is 1, Z is not O; R1, R4, and R5are each independently selected from H, alkyl, alkoxy, OH, F, Cl, Br, and I; R2and R3are each independently selected from H, F, Cl, Br, I, CN, methoxy, haloalkyl, haloalkoxy and CO2-alkyl; R10and R10'are each independently selected from H, F, alkyl, and haloalkyl; R15and R16are each independently selected from H, alkoxy, alkyl and OH; R17is selected from H, CN, OH, alkoxy and alkyl; R18is NO2or CN; and wherein the compound is other than: (6S,9R)-10-benzyl-4-chloro-6,7,8,9-tetrahydro-5H-6,9-epiminocyclohepta[d]-pyrimidine; (6S,9R)-10-benzyl-1,5,6,7,8,9-hexahydro-4H-6,9-epiminocyclohepta[d]pyrimidin-4-one; (6R,9S)-10-benzyl-1,5,6,7,8,9-hexahydro-4H-6,9-epiminocyclohepta[d]pyrimidin-4-one; 10-benzyl-1,5,6,7,8,9-hexahydro-4H-6,9-epiminocyclohepta[d]pyrimidin-4-one; 10-(2,4,6- trimethoxybenzyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]-pyrimidine; and 2-methoxy-5-((6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl)methyl)- benzonitrile. Further aspects of the invention relate to compounds of formula (I) for use in the field of immuno-oncology, immunology, and related applications.

  本发明的一个方面涉及公式(I)的化合物，或其药学上可接受的盐或溶剂，其中(I)环A是一种选择性取代的5或6元芳香或杂芳环；Y选自CH2，C=N-OH和CR10R10'；Ra和Rb各自独立地选自H和烷基；Z选自O，S，NR17和CR18；X选自O和NH；p为0，1或2；q为0或1；r为0或1；其中p，q和r中至少一个不为零，并且在以下情况下：(i)当r为0，p为1且q为1时，当X为NH时，Z不为O；(ii)当r和q均为0，且p为1时，Z不为O；R1，R4和R5各自独立地选自H，烷基，烷氧基，OH，F，Cl，Br和I；R2和R3各自独立地选自H，F，Cl，Br，I，CN，甲氧基，卤代烷基，卤代烷氧基和CO2-烷基；R10和R10'各自独立地选自H，F，烷基和卤代烷基；R15和R16各自独立地选自H，烷氧基，烷基和OH；R17选自H，CN，OH，烷氧基和烷基；R18为NO2或CN；并且该化合物不是：(6S,9R)-10-苄基-4-氯-6,7,8,9-四氢-5H-6,9-环丙二氨基嘧啶；(6S,9R)-10-苄基-1,5,6,7,8,9-六氢-4H-6,9-环丙二氨基嘧啶-4-酮；(6R,9S)-10-苄基-1,5,6,7,8,9-六氢-4H-6,9-环丙二氨基嘧啶-4-酮；10-苄基-1,5,6,7,8,9-六氢-4H-6,9-环丙二氨基嘧啶-4-酮；10-(2,4,6-三甲氧基苄基)-6,7,8,9-四氢-5H-5,8-环丙二氨基嘧啶；和2-甲氧基-5-((6,7,8,9-四氢-5H-5,8-环丙二氨基嘧啶-10-基)甲基)-苯甲腈。本发明的另一方面涉及公式(I)的化合物在免疫肿瘤学、免疫学和相关应用领域的使用。
• [EN] COMPOUNDS, COMPOSITIONS, AND METHODS<br/>[FR] COMPOSÉS, COMPOSITIONS ET PROCÉDÉS
  申请人：[en]DENALI THERAPEUTICS INC.

  公开号：WO2023240084A2

  公开（公告）日：2023-12-14

  The present disclosure relates generally to small molecule inhibitors of Sterile Alpha and TIR Motif containing 1 (SARM1) protein, or a pharmaceutically acceptable salt, isotopically enriched analog, stereoisomer, mixture of stereoisomers, or prodrug thereof, methods of making and intermediates thereof, and methods of using thereof.
• WO2023/187391
  申请人：——

  公开号：——

  公开（公告）日：——