4'-[[[2-[4-Fluorophenoxy]-pyridine-3-carbonyl]-amino]-methyl]-biphenyl-3-carboxylic acid

• 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: 4'-[[[2-[4-Fluorophenoxy]-pyridine-3-carbonyl]-amino]-methyl]-biphenyl-3-carboxylic acid
• 英文别名: 3-[4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]benzoic acid
• 化学式: C₂₆H₁₉FN₂O₄
• 分子量: 442.446
• InChiKey: ZKDTWYBKHSKIGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  88.5
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4'[[[2-[4-Fluorophenoxy]-pyridine-3-carbonyl]-amino]-methyl]-biphenyl-3-carboxylic acid methyl ester 在 sodium hydroxide 作用下， 以 水 、 叔丁醇 为溶剂， 生成 4'-[[[2-[4-Fluorophenoxy]-pyridine-3-carbonyl]-amino]-methyl]-biphenyl-3-carboxylic acid
  参考文献：
  名称：

  US2002/193612

  摘要：

  公开号：

文献信息

• Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes
  申请人：Pfizer Inc.

  公开号：US20020193612A1

  公开（公告）日：2002-12-19

  Compounds useful as inhibitors of PDE4 in the treatment of diseases regulated by the activation and degranulation of eosinophils, especially asthma, chronic bronchitis, and chronic obstructuive pulmonary disease, of the formula: 1 where j is 0 or 1 provided that when j is 0, n must be 2; k is 0 or 1; m is 0, 1, or 2; n is 1 or 2; W 1 is —O—; or —S(═O) t —, where t is 0, 1, or 2; or —N(R 3 )—; W 2 is —O—CR A R B — or is absent; Y is ═C(R 1 a )— or —[N (O) k ]— where k is 0 or 1; R A and R B are —H; —F; —CF 3 ; —(C 1 -C 4 ) alkyl; —(C 3 -C 7 ) cycloalkyl; phenyl; or benzyl substituted with 0 to 3 substituents R 10 ; or R A and R B are taken together, but only in the case where m is 1, to form a spiro moiety; R C and R D have the same meaning as R A and R B except that one of them must be —H, R 1 and R 2 are —H; —F; —Cl; —CN; —NO 2 ; —(C 1 -C 4 ) alkyl; —(C 2 -C 4 ) alkynyl; fluorinated —(C 1 -C 3 ) alkyl; —OR 16 ; and —C(═O)NR 22 a R 22 b ; R 3 is —H; —(C 1 -C 3 ) alkyl; phenyl; benzyl; or —OR 16 ; R 4 , R 5 and R 6 in addition to other meanings may be taken together to form, e.g., 2 Q 1 is a saturated or unsaturated carbon ring system that is a 3- to 7-membered monocyclic, or that is a 7- to 12-membered, fused polycyclic; provided that Q 1 is not a discontinuous or restricted biaryl moiety as defined under Q 2 ; where optionally one carbon atom may be replaced by a heteroatom selected from N, O, and S; where optionally a second carbon atom thereof, and further optionally a third carbon atom thereof may be replaced by N; Q 2 is a discontinuous or restricted biaryl moiety consisting of a saturated or unsaturated carbon ring system that is a 3- to 7-membered monocyclic, or that is a 7- to 12-membered, fused polycyclic; where optionally one carbon atom may be replaced by a heteroatom selected from N, O, and S; where optionally a second carbon atom thereof, and further optionally a third carbon atom thereof may be replaced by N; Z is selected from: 3

  这是一段关于治疗哮喘、慢性支气管炎和慢性阻塞性肺疾病等疾病中，通过抑制PDE4来调节嗜酸性粒细胞的激活和脱颗粒的化合物的公式描述。其中j为0或1，当j为0时，n必须为2；k为0或1；m为0、1或2；n为1或2；W1为—O—或—S(═O)t—，其中t为0、1或2；或—N(R3)—；W2为—O—CRARB—或不存在；Y为═C(R1a)—或—[N(O)k]—，其中k为0或1；RA和RB为—H；—F；—CF3；—(C1-C4)烷基；—(C3-C7)环烷基；苯基；或取代有0-3个取代基R10的苄基；或在m为1的情况下RA和RB共同形成螺环基；RC和RD与RA和RB的含义相同，但其中一个必须为—H；R1和R2为—H；—F；—Cl；—CN；—NO2；—(C1-C4)烷基；—(C2-C4)炔基；氟代的—(C1-C3)烷基；—OR16；和—C(═O)NR22aR22b；R3为—H；—(C1-C3)烷基；苯基；苄基；或—OR16；除了其他含义外，R4、R5和R6还可以共同形成，例如2；Q1为饱和或不饱和的碳环系统，是一个3-7个成员的单环，或是7-12个成员的融合多环；前提是Q1不是不连续或受限的双芳基基团，如Q2所定义；其中可选地，一个碳原子可以被N、O和S中选择的杂原子所替换；其中可选地，第二个碳原子，进一步可选地，第三个碳原子可以被N所替换；Q2为不连续或受限的双芳基基团，由饱和或不饱和的碳环系统组成，是一个3-7个成员的单环，或是7-12个成员的融合多环；其中可选地，一个碳原子可以被N、O和S中选择的杂原子所替换；其中可选地，第二个碳原子，进一步可选地，第三个碳原子可以被N所替换；Z可选择为：3。
• Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors
  申请人：Catalano George John

  公开号：US20050054819A1

  公开（公告）日：2005-03-10

  Cycloalkyl ketoamide derivatives, which are useful as cathepsin K inhibitors are described herein. The described invention also includes methods of making such cycloalkyl ketoamide derivatives as well as methods of using the same in the treatment of disorders, including osteoporosis, associated with enhanced bone turnover which can ultimately lead to fracture.

  本文介绍了环状酰胺类酮衍生物，其作为卡他普星K抑制剂具有用途。所述发明还包括制备这种环状酰胺类酮衍生物的方法，以及使用它们治疗与增强骨转换相关的疾病（包括骨质疏松症），最终可导致骨折的方法。
• Pharmaceutical compositions based on a scopineester and nicotinamide derivatives
  申请人：Meade J. Montague Christopher

  公开号：US20050154006A1

  公开（公告）日：2005-07-14

  The present invention relates to novel pharmaceutical compositions based on a scopineester of formula 1 wherein X − has the meanings specified in the description and claims and one ore more, preferably one nicotinamide derivative, processes for preparing them and their use in the treatment of respiratory diseases.

  本发明涉及基于式 1 的莨菪酯的新型药物组合物 其中 X - 具有在说明书和权利要求书中规定的含义，以及一种或多种，最好是一种烟酰胺衍生物，制备它们的工艺及其在治疗呼吸系统疾病中的用途。
• NICOTINAMIDE BIARYL DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES
  申请人：Pfizer Products Inc.

  公开号：EP1355884A1

  公开（公告）日：2003-10-29
• CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS
  申请人：SmithKline Beecham Corporation

  公开号：EP1465862A1

  公开（公告）日：2004-10-13