N-(2-methylsulfonylamino-5-trifluoromethyl-pyridin-3-yl)cyclopentanecarboxamide | 141283-85-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(2-methylsulfonylamino-5-trifluoromethyl-pyridin-3-yl)cyclopentanecarboxamide
• 英文别名: N-(2-methylsulfonylamino-5-trifluoromethyl-3-pyridyl)cyclopentanecarboxamide；Cyclopentanecarboxamide, N-(2-((methylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-；N-[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]cyclopentanecarboxamide
• CAS: 141283-85-4
• 化学式: C₁₃H₁₆F₃N₃O₃S
• 分子量: 351.35
• InChiKey: IWXQIOFKHRRNRK-UHFFFAOYSA-N

物化性质

• 密度：
  1.498±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  96.5
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-氯-5-三氟甲基吡啶 在 硝酸 、 铁粉 、 potassium carbonate 、 溶剂黄146 作用下， 以 四氢呋喃 、 溶剂黄146 、 二甲基亚砜 为溶剂， 反应 14.0h， 生成 N-(2-methylsulfonylamino-5-trifluoromethyl-pyridin-3-yl)cyclopentanecarboxamide
  参考文献：
  名称：

  新型N-（2-磺酰基氨基-5-三氟甲基-3-吡啶基）羧酰胺衍生物作为磷脂酶A2抑制剂的合成及其抗胰腺炎活性。

  摘要：

  已经制备了新的N-（2-磺酰基氨基-5-三氟甲基-3-吡啶基）羧酰胺衍生物，并将其评估为磷脂酶A2（PLA2）抑制剂。在这些化合物中，将IS-741（1j的钠盐）对大鼠通过闭合十二指肠环法诱发的急性出血性胰腺炎显示出最高和最稳定的治疗效果，作为进一步开发的候选药物。

  DOI：

  10.1248/cpb.43.1696

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 LIVER DISEASES CONTAINING DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVES
  申请人：ISHIHARA SANGYO KAISHA, LTD.

  公开号：EP1252891A1

  公开（公告）日：2002-10-30

  A therapeutic or preventive agent for liver diseases, 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.

  一种治疗或预防肝病的药物，其有效成分含有由式(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； .和 m 为 0 或 1。
• Remedies or preventives for liver diseases containing diaminotrifluoromethylpyridine derivatives
  申请人：——

  公开号：US20030018054A1

  公开（公告）日：2003-01-23

  A therapeutic or preventive agent for liver diseases, 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.

  一种治疗或预防肝脏疾病的药物，其活性成分为式 (I) 所代表的二氨基三氟甲基吡啶衍生物或其盐： 1 其中 X 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 为氧原子或硫原子；m 为 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。
• Use of DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVES FOR the prevention and treatment of LIVER DISEASES
  申请人：ISHIHARA SANGYO KAISHA, LTD.

  公开号：EP1252891B1

  公开（公告）日：2005-10-05