Benzamide, 4-fluoro-N-(2-((methylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)- | 141283-54-7

• 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: Benzamide, 4-fluoro-N-(2-((methylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-
• 英文别名: 4-fluoro-N-[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]benzamide
• CAS: 141283-54-7
• 化学式: C₁₄H₁₁F₄N₃O₃S
• 分子量: 377.32
• InChiKey: OXNVUDNVKDMBBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  96.5
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  Benzamide, 4-fluoro-N-(2-((methylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)- 、 甲基磺酰胺 、 sodium;hydride 、 2-氯-3-硝基-5-(三氟甲基)吡啶 在 ice 、 乙醚 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 7.0h， 以to obtain 5.8 g of N-(3-nitro-5-trifluoromethyl-2-pyridyl)methanesulfonamide having a melting point of from 138° to 139° C.的产率得到N-(3-nitro-5-trifluoromethyl-pyridin-2-yl)methanesulfonamide
  参考文献：
  名称：

  Diaminotrifluoromethylpyridine derivatives, process for their production

  摘要：

  使用公式（I）或其盐的二氨基三氟甲基吡啶衍生物治疗类风湿性关节炎的方法： 其中X为--CW1R1，--COCOR2，--CW1NHCOR2，--C(.dbd.W1)W2R3或--CW1N(R4)R5，Y为烷基，--CW3R6，--COCOR7，--NHCOR7，--C(.dbd.W3)W4R8，--(NH)mSO2R9，--(NH)mSO2OR10或--(NH)mSO2N(R11)R12，其中R1，R6和R9分别是独立的链烃基，可以被取代的单环烃基，可以被取代的多环烃基，可以被取代的单环杂环基或可以被取代的多环杂环基，如此处进一步定义。

  公开号：

  US05492908A1

文献信息

• REMEDIES OR PREVENTIVES FOR PULMONARY INSUFFICIENCY CONTAINING DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVES
  申请人：ISHIHARA SANGYO KAISHA, LTD.

  公开号：EP1252889A1

  公开（公告）日：2002-10-30

  A therapeutic or preventive agent for pulmonary insufficiency, containing as an active ingredient a diaminotrifluoromethylpyridine derivative represented by the formula (I) or its salt: wherein X is a -CW1R1 group, a -COCOR2 group, a -CW1NHCOR2 group, a -C(=W1)W2R3 group or a -CW1N(R4)R5 group; Y is an alkyl group, a -CW3R6 group, a -COCOR7 group, a -NHCOR7 group, a -C(=W3)W4R8 group, a -(NH)mSO2R9 group, a -(NH)mSO2OR10 group or a -(NH)mSO2N(R11)R12 group; each of R1, R6 and R9 is a chain hydrocarbon group, a monocyclic hydrocarbon group, a polycyclic hydrocarbon group, a monocyclic heterocycle group or a polycyclic heterocycle group; each of R2 and R7 is an alkyl group, an alkoxy group, a phenyl group or a phenoxy group; each of R3, R8 and R10 is an alkyl group, an alkenyl group, an alkynyl group, a cycloalkyl group, a phenyl group or a benzyl group; each of R4, R5, R11 and R12 is an alkyl group; each of W1, W2, W3 and W4 is an oxygen atom or a sulfur atom; and m is 0 or 1, is provided.

  一种治疗或预防肺功能不全的药物，其活性成分含有由式(I)或其盐代表的二氨基三氟甲基吡啶衍生物： 其中 X 是-CW1R1 基团、-COCOR2 基团、-CW1NHCOR2 基团、-C(＝W1)W2R3 基团或-CW1N(R4)R5 基团；Y 是烷基、-CW3R6 基团、-COCOR7 基团、-NHCOR7 基团、-C(=W3)W4R8 基团、-(NH)mSO2R9 基团、-(NH)mSO2OR10 基团或-(NH)mSO2N(R11)R12 基团；R1、R6 和 R9 中的每一个是链烃基团、单环烃基团、多环烃基团、单环杂环基团或多环杂 环基团；R2和R7各自为烷基、烷氧基、苯基或苯氧基； R3、R8和R10各自为烷基、烯基、炔基、环烷基、苯基或苄基； R4、R5、R11和R12各自为烷基； W1、W2、W3和W4各自为氧原子或硫原子；以及 m为0或1。
• REMEDIES OR PREVENTIVES FOR DIGESTIVE DISEASES CONTAINING DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVES
  申请人：ISHIHARA SANGYO KAISHA, LTD.

  公开号：EP1252890A1

  公开（公告）日：2002-10-30

  A digestive system disease therapeutic or preventive agent containing as an active ingredient a diaminotrifluoromethylpyridine derivative represented by the formula (I) or its salt: wherein X is a -CW1R1 group, a -COCOR2 group, a -CW1NHCOR2 group, a -C(=W1)W2R3 group or a -CW1N(R4)R5 group; Y is an alkyl group, a -CW3R6 group, a -COCOR7 group, a -NHCOR7 group, a -C(=W3)W4R8 group, a -(NH)mSO2R9 group, a -(NH)mSO2OR10 group or a -(NH)mSO2N(R11)R12 group; each of R1, R6 and R9 is a chain hydrocarbon group, a monocyclic hydrocarbon group, a polycyclic hydrocarbon group, a monocyclic heterocycle group or a polycyclic heterocycle group; each of R2 and R7 is an alkyl group, an alkoxy group, a phenyl group or a phenoxy group; each of R3, R8 and R10 is an alkyl group, an alkenyl group, an alkynyl group, a cycloalkyl group, a phenyl group or a benzyl group; each of R4, R5, R11 and R12 is an alkyl group; each of W1, W2, W3 and W4 is an oxygen atom or a sulfur atom; and m is 0 or 1.

  一种消化系统疾病治疗剂或预防剂，其活性成分含有由式(I)或其盐代表的二氨基三氟甲基吡啶衍生物： 其中 X 是-CW1R1 基团、-COCOR2 基团、-CW1NHCOR2 基团、-C(＝W1)W2R3 基团或-CW1N(R4)R5 基团；Y 是烷基、-CW3R6 基团、-COCOR7 基团、-NHCOR7 基团、-C(=W3)W4R8 基团、-(NH)mSO2R9 基团、-(NH)mSO2OR10 基团或-(NH)mSO2N(R11)R12 基团；R1、R6 和 R9 中的每一个是链烃基团、单环烃基团、多环烃基团、单环杂环基团或多环杂 环基团；R2和R7各自为烷基、烷氧基、苯基或苯氧基； R3、R8和R10各自为烷基、烯基、炔基、环烷基、苯基或苄基； R4、R5、R11和R12各自为烷基； W1、W2、W3和W4各自为氧原子或硫原子；以及 m为0或1。
• REGULATION OF INTERACTION BETWEEN RAPL AND Rap1
  申请人：ISHIHARA SANGYO KAISHA, LTD.

  公开号：EP1557670A1

  公开（公告）日：2005-07-27

  A functional failure of Rap1 as a molecule that regulates integrin adhesion is believed to be related to pathology of inflammation, allergy, autoimmune diseases, cancer immunity, transplantation immunity, and the like that are immune diseases, and therefore elucidation of the mechanism of regulation of integrin adhesion by Rap1 leads to an understanding of the pathology of these immune diseases and the development of their treatment methods. As a molecule that is involved in the regulation of integrin adhesion by Rap1 p30 has been identified, and it was found that the p30 regulates the Rap1 function by binding to it. The use of this knowledge can be used for developing a p30 and Rap1 binding inhibitor and the like, developing drugs for inflammation, allergy, autoimmune diseases, cancer immunity, transplantation immunity, and the like, and further elucidating their regulation mechanisms.

  作为调控整合素粘附的分子，Rap1 的功能失效被认为与炎症、过敏、自身免疫性疾病、癌症免疫、移植免疫等免疫性疾病的病理有关，因此，阐明 Rap1 对整合素粘附的调控机制有助于了解这些免疫性疾病的病理，并开发其治疗方法。作为参与 Rap1 对整合素粘附调节的分子，p30 已被确定，并且发现 p30 通过与 Rap1 结合来调节 Rap1 的功能。利用这些知识可用于开发 p30 和 Rap1 结合抑制剂等，开发治疗炎症、过敏、自身免疫性疾病、癌症免疫、移植免疫等的药物，并进一步阐明其调控机制。
• Remedies or preventives for digestive diseases containing diaminotrifluoromethypyridine derivatives
  申请人：——

  公开号：US20030027843A1

  公开（公告）日：2003-02-06

  A digestive system disease therapeutic or preventive agent containing as an active ingredient a diaminotrifluoromethylpyridine derivative represented by the formula (I) or its salt: 1 wherein X is a —CW 1 R 1 group, a —COCOR 2 group, a —CW 1 NHCOR 2 group, a —C(═W 1 )W 2 R 3 group or a —CW 1 N(R 4 )R 5 group; Y is an alkyl group, a —CW 3 R 6 group, a —COCOR 7 group, a —NHCOR 7 group, a —C(═W 3 )W 4 R 8 group, a —(NH) m SO 2 R 9 group, a —(NH) m SO 2 OR 10 group or a —(NH) m SO 2 N(R 11 )R 12 group; each of R 1 , R 6 and R 9 is a chain hydrocarbon group, a monocyclic hydrocarbon group, a polycyclic hydrocarbon group, a monocyclic heterocycle group or a polycyclic heterocycle group; each of R 2 and R 7 is an-alkyl group, an alkoxy group, a phenyl group or a phenoxy group; each of R 3 , R 8 and R 10 is an alkyl group, an alkenyl group, an alkynyl group, a cycloalkyl group, a phenyl group or a benzyl group; each of R 4 , R 5 , R 11 and R 12 is an alkyl group; each of W 1 , W 2 , W 3 and W 4 is an oxygen atom or a sulfur atom; and m is 0 or 1.

  一种消化系统疾病治疗剂或预防剂，其活性成分含有式 (I) 所代表的二氨基三氟甲基吡啶衍生物或其盐： 1 其中 X 是 -CW 1 R 1 基团 2 基团、一个 -CW 1 NHCOR 2 基团，一个 -C(═W 1 )W 2 R 3 基团或-CW 1 N(R 4 )R 5 基团；Y 是烷基、-CW 3 R 6 基团、一个 -COCOR 7 基团、一个 -NHCOR 7 基团、一个-C(═W 3 )W 4 R 8 基团，一个-(NH) m SO 2 R 9 基团，一个-(NH) m SO 2 或 10 基团或-(NH) m SO 2 N(R 11 )R 12 基团；每个 R 1 , R 6 和 R 9 是链烃基团、单环烃基团、多环烃基团、单环杂环基团或多环杂 环基团；R 2 和 R 7 是烷基、烷氧基、苯基或苯氧基；R 3 , R 8 和 R 10 是烷基、烯基、炔基、环烷基、苯基或苄基；每个 R 4 , R 5 , R 11 和 R 12 是烷基 1 , W 2 , W 3 和 W 4 是氧原子或硫原子；m 是 0 或 1.
• Remedies or preventives for pulmonary insufficiency containing diaminotrifluoromethylpyridne derivatives
  申请人：——

  公开号：US20030109551A1

  公开（公告）日：2003-06-12

  A therapeutic or preventive agent for pulmonary insufficiency, containing as an active ingredient a diaminotrifluoromethylpyridine derivative represented by the formula (I) or its salt: 1 wherein X is a —CW 1 R 1 group, a —COCOR 2 group, a —CW 1 NHCOR 2 group, a —C(═W 1 )W 2 R 3 group or a —CW 1 N(R 4 )R 5 group; Y is an alkyl group, a —CW 3 R 6 group, a —COCOR 7 group, a —NHCOR 7 group, a —C(═W 3 )W 4 R 8 group, a —(NH) m SO 2 R 9 group, a (NH) m SO 2 OR 10 group or a —(NH) m SO 2 N(R 11 )R 12 group; each of R 1 , R 6 and R 9 is a chain hydrocarbon group, a monocyclic hydrocarbon group, a polycyclic hydrocarbon group, a monocyclic heterocycle group or a polycyclic heterocycle group; each of R 2 and R 7 is an alkyl group, an alkoxy group, a phenyl group or a phenoxy group; each of R 3 , R 8 and R 10 is an alkyl group, an alkenyl group, an alkynyl group, a cycloalkyl group, a phenyl group or a benzyl group; each of R 4 , R 5 , R 11 and R 12 is an alkyl group; each of W 1 , W 2 , W 3 and W 4 is an oxygen atom or a sulfur atom; and m is 0 or 1, is provided.

  一种治疗或预防肺功能不全的制剂，其有效成分为式 (I) 所代表的二氨基三氟甲基吡啶衍生物或其盐： 1 其中 X 为-CW 1 R 1 基团 2 基团、一个 -CW 1 NHCOR 2 基团，一个 -C(═W 1 )W 2 R 3 基团或-CW 1 N(R 4 )R 5 基团；Y 是烷基、-CW 3 R 6 基团、一个 -COCOR 7 基团、一个 -NHCOR 7 基团、一个 -C(═W 3 )W 4 R 8 基团，一个-(NH) m SO 2 R 9 基团，a (NH) m SO 2 或 10 基团或-(NH) m SO 2 N(R 11 )R 12 基团；每个 R 1 , R 6 和 R 9 是链烃基团、单环烃基团、多环烃基团、单环杂环基团或多环杂 环基团；R 2 和 R 7 是烷基、烷氧基、苯基或苯氧基；R 3 , R 8 和 R 10 是烷基、烯基、炔基、环烷基、苯基或苄基；每个 R 4 , R 5 , R 11 和 R 12 是烷基 1 , W 2 , W 3 和 W 4 为氧原子或硫原子；m 为 0 或 1。