2-bromo-N-(3-(trifluoromethyl)phenyl)benzamide | 2946-72-7

• 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-bromo-N-(3-(trifluoromethyl)phenyl)benzamide
• 英文别名: 2-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
• CAS: 2946-72-7
• 化学式: C₁₄H₉BrF₃NO
• mdl: MFCD00423274
• 分子量: 344.131
• InChiKey: CICQVRULEXWWCJ-UHFFFAOYSA-N

物化性质

• 熔点：
  121-122 °C
• 沸点：
  311.4±42.0 °C(Predicted)
• 密度：
  1.578±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-bromo-N-(3-(trifluoromethyl)phenyl)benzamide 、 苯硼酸 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-(3-(trifluoromethyl)phenyl)-[1,1'-biphenyl]-2-carboxamide
  参考文献：
  名称：

  MODULATORS OF THE RELAXIN RECEPTOR 1

  摘要：

  本文揭示了人类松弛素受体1的调节剂，例如，公式（I）中的A、R1和R2如本文所定义，这些调节剂在治疗哺乳动物松弛素受体1介导的人类健康方面，例如心血管疾病中是有用的。还公开了一种包含药用适宜载体和本公开的至少一种化合物的组合物，以及一种用于治疗介导人类松弛素受体1的哺乳动物健康方面的干预方法。

  公开号：

  US20150119426A1
• 作为产物：
  描述：

  间氨基三氟甲苯 、 2-溴苯甲酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以98%的产率得到2-bromo-N-(3-(trifluoromethyl)phenyl)benzamide
  参考文献：
  名称：

  MODULATORS OF THE RELAXIN RECEPTOR 1

  摘要：

  本文揭示了人类松弛素受体1的调节剂，例如，公式（I）中的A、R1和R2如本文所定义，这些调节剂在治疗哺乳动物松弛素受体1介导的人类健康方面，例如心血管疾病中是有用的。还公开了一种包含药用适宜载体和本公开的至少一种化合物的组合物，以及一种用于治疗介导人类松弛素受体1的哺乳动物健康方面的干预方法。

  公开号：

  US20150119426A1

文献信息

• N-aryl(thio)anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors
  申请人：——

  公开号：US20020019414A1

  公开（公告）日：2002-02-14

  1 Described are compounds of formula (I), wherein W is O or S; X is NR 8 ; Y is CR 9 R 10 -(CH 2 )n wherein R 9 and R 10 are independently of each other hydrogen or lower alkyl, and n is an integer of from and including 0 to and including 3; or Y is SO 2 ; R 1 is aryl; R 2 is a mono- or bicyclic heteroaryl group comprising one or more ring nitrogen atoms with the exception that R 2 cannot represent 2-phthalimidyl, and in case of Y═SO 2 cannot represent 2,1,3-benzothiadiazol-4-yl; any of R 3 , R 4 , R 5 and R 6 , independently of the other, is H or a substituent other than hydrogen; and R 7 and R 8 , independently of each other, are H or lower alkyl; or a N-oxide or a pharmaceutically acceptable salt thereof for the preparation of a pharmaceutical product for the treatment of a neoplastic disease which responds to an inhibition of the VEGF receptor tyrosine kinase activity. The compounds of formula (I) can be used for the treatment e.g. of a neoplastic disease, such as a tumor disease, of retinopathy and age-related macular degeneration.

  描述的是化合物的结构式（I），其中W是O或S；X是NR8；Y是CR9R10-(CH2)n，其中R9和R10彼此独立地是氢或较低的烷基，n是从0到3的整数；或Y是SO2；R1是芳基；R2是一个含有一个或多个环氮原子的单环或双环杂环基团，但R2不能代表2-邻苯二甲酰胺，并且在Y为SO2的情况下不能代表2,1,3-苯并噻二唑-4-基；R3、R4、R5和R6中的任何一个，独立于其他，是H或除氢之外的取代基；R7和R8，彼此独立地是H或较低的烷基；或其N-氧化物或药用可接受的盐，用于制备用于治疗对VEGF受体酪氨酸激酶活性抑制产生反应的恶性疾病的药物产品。结构式（I）的化合物可用于治疗恶性疾病，如肿瘤疾病，视网膜病和老年性黄斑变性等。
• N-aryl (THIO) anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors
  申请人：——

  公开号：US20040198782A1

  公开（公告）日：2004-10-07

  1 Described are compunds of formula (I), wherein W is O or S; X is NR 8 ; Y is CR 9 R 10 —(CH 2 ) n wherein R 9 and R 10 are independently of each other hydrogen or lower alkyl, and n is an integer of from and including 0 to and including 3; or Y is SO 2 ; R 2 is aryl; R 2 is a mono- or bicyclic heteroaryl group comprising one or more ring nitrogen atoms with the exception that R 2 cannot represent 2-phthalimidyl, and in case of Y=SO 2 cannot represent 2,1,3-benzothiadiazol-4-yl; any of R 3 , R 4 , R 5 and R 6 , independently of the other, is H or a substituent other than hydrogen; and R 7 and R 8 , independently of each other, are H or lower alkyl; or a N-oxide or a pharmaceutically acceptable salt thereof for the preparation of a pharmaceutical product for the treatment of a neoplastic disease which responds to an inhibition of the VEGF receptor tyrosine kinase activity. The compounds of formula (I) can be used for the treatment e.g. of a neoplastic disease, such as a tumor disease, of retinopathy and age-related macular degeneration.

  描述了化合物的公式(I)，其中W为O或S; X为NR8; Y为CR9R10—(CH2)n，其中R9和R10独立地为氢或低烷基，n为0至3的整数，包括0和3; 或Y为SO2; R2为芳基; R2为一种单环或双环杂环芳基，包括一个或多个环氮原子，但R2不能表示2-邻苯二甲酰亚胺基，且在Y = SO2的情况下不能表示2,1,3-苯并噻二唑-4-基; R3、R4、R5和R6中的任何一个，除了氢之外，都是取代基; R7和R8独立地为氢或低烷基; 或其N-氧化物或药学上可接受的盐，用于制备治疗对VEGF受体酪氨酸激酶活性抑制有反应的肿瘤疾病的制药产品。公式(I)的化合物可用于治疗肿瘤疾病，如肿瘤疾病，视网膜病和年龄相关性黄斑变性等。
• N-aryl (thio) anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors
  申请人：——

  公开号：US20030064992A1

  公开（公告）日：2003-04-03

  1 Described are compunds of formula (I), wherein W is O or S; X is NR 8 ; Y is CR 9 R 10 —(CH 2 )n wherein R 9 and R 10 are independently of each other hydrogen or lower alkyl, and n is an integer of from and including 0 to and including 3; or Y is SO 2 ; R 1 is aryl; R 2 is a mono- or bicyclic heteroaryl group comprising one or more ring nitrogen atoms with the exception that R 2 cannot represent 2-phthalimidyl, and in case of Y=SO 2 cannot represent 2,1,3-benzothiadiazol-4-yl; any of R 3 , R 4 , R 5 and R 6 , independently of the other, is H or a substituent other than hydrogen; and R 7 and R 8 , independently of each other, are H or lower alkyl; or a N-oxide or a pharmaceutically acceptable salt thereof for the preparation of a pharmaceutical product for the treatment of a neoplastic disease which responds to an inhibition of the VEGF receptor tyrosine kinase activity. The compounds of formula (I) can be used for the treatment e.g. of a neoplastic disease, such as a tumor disease, of retinopathy and age-related macular degeneration.

  本文描述了式(I)的化合物，其中W为O或S；X为NR8；Y为CR9R10—(CH2)n，其中R9和R10独立地为氢或低碳基，n为0至3的整数，或Y为SO2；R1为芳基；R2为一个单环或双环杂芳基，其中包含一个或多个环氮原子，但R2不能代表2-苯酰亚胺基，且在Y=SO2的情况下不能代表2,1,3-苯并噻二唑-4-基；R3、R4、R5和R6中的任意一个，独立于其他的，为H或除氢以外的取代基；且R7和R8独立地为H或低碳基；或其N-氧化物或药学上可接受的盐，用于制备治疗对VEGF受体酪氨酸激酶活性抑制有反应的肿瘤疾病的药物产品。式(I)的化合物可用于治疗肿瘤疾病，如肿瘤疾病、视网膜病变和老年性黄斑变性等。
• VEGF receptor tyrosine kinase inhibitors
  申请人：Novartis AG

  公开号：US06448277B2

  公开（公告）日：2002-09-10

  Described are compounds of formula (I), wherein W is O or S; X is NR8; Y is CR9R10—(CH2)n wherein R9 and R10 are independently of each other hydrogen or lower alkyl, and n is an integer of from and including 0 to and including 3; or Y is S02; R1 is aryl; R2 is a mono- or bicyclic heteroaryl group comprising one or more ring nitrogen atoms with the exception that R2 cannot represent 2-phthalimidyl, and in case of Y=SO2 cannot represent 2,1,3-benzothiadiazol-4-yl; any of R3, R4, R5 and R6, independently of the other, is H or a substituent other than hydrogen; and R7 and R8, independently of each other, are H or lower alkyl; or a N-oxide or a pharmaceutically acceptable salt thereof for the preparation of a pharmaceutical product for the treatment of a neoplastic disease which responds to an inhibition of the VEGF receptor tyrosine kinase activity. The compounds of formula (I) can be used for the treatment e.g. of a neoplastic disease, such as a tumor disease, of retinopathy and age-related macular degeneration.

  本文描述了式（I）的化合物，其中W为O或S；X为NR8；Y为CR9R10—（CH2）n，其中R9和R10独立地为氢或低烷基，n为0至3的整数，包括0和3；或Y为S02；R1为芳基；R2为单环或双环杂芳基，包括一个或多个环氮原子，但R2不能表示2-邻苯二甲酰亚胺基，且在Y = SO2的情况下不能表示2,1,3-苯并噻二唑-4-基；R3、R4、R5和R6中的任何一个独立地为H或除氢原子以外的取代基；R7和R8独立地为H或低烷基；或其N-氧化物或药学上可接受的盐，用于制备用于治疗对VEGF受体酪氨酸激酶活性抑制有反应的肿瘤性疾病的制药产品。式（I）的化合物可用于治疗肿瘤性疾病，例如肿瘤疾病，视网膜病变和年龄相关性黄斑变性等。
• Modulators of the relaxin receptor 1
  申请人：The United States of America, as Represented by the Secretary, Department of Health and Human Service

  公开号：US10125112B2

  公开（公告）日：2018-11-13

  Disclosed are modulators of the human relaxin receptor 1, for example, of formula (I), wherein A, R1, and R2 are as defined herein, that are useful in treating mammalian relaxin receptor 1 mediated facets of human health, e.g., cardiovascular disease. Also disclosed is a composition comprising a pharmaceutically suitable carrier and at least one compound of the disclosure, and a method for therapeutic intervention in a facet of mammalian health that is mediated by a human relaxin receptor 1.

  公开了人类松弛素受体1的调节剂，例如式（I），其中A、R1和R2如本文所定义，可用于治疗哺乳动物松弛素受体1介导的人类健康问题，例如心血管疾病。还公开了一种组合物，该组合物包含药学上合适的载体和至少一种本公开的化合物，以及一种治疗干预哺乳动物健康的方法，该哺乳动物的健康是由人类松弛素受体1介导的。