2-[[3-(Azepan-1-ylsulfonyl)-4-methylbenzoyl]amino]benzoic 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: 2-[[3-(Azepan-1-ylsulfonyl)-4-methylbenzoyl]amino]benzoic acid
• 化学式: C₂₁H₂₄N₂O₅S
• 分子量: 416.5
• InChiKey: PEZJFHANSDGDMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• CRTH2 Receptor Ligands For Therapeutic Use
  申请人：Ulven Trond

  公开号：US20090105218A1

  公开（公告）日：2009-04-23

  Compounds of formula (I) are useful in the treatment of disease responsive to modulation of CRTH2 receptor activity, wherein: A represents a carboxyl group —COOH, or a carboxyl bioisostere; L1 is a bond, —CH 2 —, —OCH 2 —, —CH 2 CH 2 — or —CH═CH—; L2 is CONH—, —NHCO—, SO 2 NR 1 —, —NR 1 SO 2 wherein R 1 is hydrogen or C 1 -C 3 alkyl, or a divalent radical of formula (X) or (Y), wherein ring Q is a non aromatic heterocyclic ring containing 5 to 7 ring atoms, including the nitrogen shown; L3 is a divalent linker radical of formula -(Alk 1 ) m -(Z) n -(Alk 2 ) p as defined in the description; ring Ar 1 is an optionally substituted divalent phenyl radical or divalent 5- or 6-membered monocyclic heteroaryl radical, in which L1 and the H[B] s L3L2Ar 2 CONH-radical are linked to adjacent ring carbon atoms; ring Ar 2 is an optionally substituted 1,3-phenylene radical, or an optionally substituted divalent 5- or 6-membered monocyclic heteroaryl radical, in which AL1Ar 1 NHCO-radical and the H[B] s L3L2-radical are linked to ring carbon atoms which are not in ortho relationship; ring B is as defined for Ar 2 , or an optionally substituted cycloalkyl, N-pyrrolidinyl, N-piperidinyl or N-azepinyl ring; and s is 0 or 1.

  公式（I）的化合物在治疗对CRTH2受体活性调节敏感的疾病中有用，其中：A代表羧基- COOH或羧基生物同位素; L1是键，-CH2-，-O -，- -或-CH═CH-; L2是CONH-，-NHCO-，SO2NR1-，-NR1SO2其中R1是氢或C1-C3烷基，或式（X）或（Y）的双价基团，其中环Q是含有5至7个环原子的非芳香杂环环，包括所示的氮; L3是式-(Alk1)m-(Z)n-(Alk2)pas所定义的双价连接基团; 环Ar1是可选的取代的双价苯基团或双价的5-或6-成员的单环杂芳基团，其中L1和H[B]sL3L2Ar2CONH基团连接到相邻的环碳原子; 环Ar2是可选的取代的1,3-苯基基团，或可选的取代的双价5-或6-成员的单环杂芳基团，在其中AL1Ar1NHCO基团和H[B]sL3L2基团连接到不处于邻位关系的环碳原子; 环B如Ar2所定义，或可选的取代的环烷基，N-吡咯烷基，N-哌啶基或N-氮杂庚基; s为0或1。
• COMPOSITIONS AND METHODS FOR MODULATING SIRTUIN ACTIVITY
  申请人：The General Hospital Corporation

  公开号：EP2068875A2

  公开（公告）日：2009-06-17
• Compositions and methods for modulating sirtuin activity
  申请人：Kazantsev Aleksey G.

  公开号：US20080021063A1

  公开（公告）日：2008-01-24

  The present invention is based, in part, on our discovery of compounds that inhibit an activity of a sirtuin (e.g., compounds that inhibit or preferentially inhibit an activity of SIRT2) and are therefore believed useful in the treatment or prevention of diseases associated with sirtuin activity. These diseases include, but are not limited to, neurological disorders such as Parkinson's Disease (PD).
• US8153803B2
  申请人：——

  公开号：US8153803B2

  公开（公告）日：2012-04-10
• [EN] COMPOSITIONS AND METHODS FOR MODULATING SIRTUIN ACTIVITY<br/>[FR] COMPOSITIONS ET PROCÉDÉS DESTINÉS À MODULER L'ACTIVITÉ DE LA SIRTUINE
  申请人：GEN HOSPITAL CORP

  公开号：WO2008011476A2

  公开（公告）日：2008-01-24

  [EN] The present invention is based, in part, on our discovery of compounds that inhibit an activity of a sirtuin (e.g., compounds that inhibit or preferentially inhibit an activity of SIRT2) and are therefore believed useful in the treatment or prevention of diseases associated with sirtuin activity. These diseases include, but are not limited to, neurological disorders such as Parkinson's Disease (PD).
  [FR] La présente invention concerne, en partie, la découverte de composés qui inhibent l'activité d'une sirtuine (par exemple, des composés qui inhibent ou qui inhibent de préférence une activité de SIRT2), et qui sont par conséquent considérés comme étant utiles dans le traitement ou la prévention de maladies associées à l'activité de la sirtuine. Ces maladies incluent, sans que ceci soit limitatif, les troubles neurologiques tels que la maladie de Parkinson (PD).