methyl 2-(3-aminobenzoylamino)benzoate | 870808-25-6

• 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: methyl 2-(3-aminobenzoylamino)benzoate
• 英文别名: Methyl 2-[(3-aminobenzoyl)amino]benzoate
• CAS: 870808-25-6
• 化学式: C₁₅H₁₄N₂O₃
• 分子量: 270.288
• InChiKey: ICDQYEZZOFZJJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  81.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  methyl 2-(3-nitrobenzoylamino)benzoate 在 钯 氢气 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以to give 4.43 g (97%) white solid的产率得到methyl 2-(3-aminobenzoylamino)benzoate
  参考文献：
  名称：

  CRTH2 Receptor Ligands For Therapeutic Use

  摘要：

  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-，-OCH2-，-CH2CH2-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。

  公开号：

  US20090105218A1

文献信息

• [EN] CRTH2 RECEPTOR LIGANDS FOR THERAPEUTIC USE<br/>[FR] LIGANDS DU RECEPTEUR CRTH2 UTILISES A DES FINS THERAPEUTIQUES
  申请人：7TM PHARMA AS

  公开号：WO2005115374A1

  公开（公告）日：2005-12-08

  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, -CH2-, -OCH2-, -CH2CH2- or -CH=CH-; L2 is CONH-, -NHCO-, SO2NR1-, -NR1SO2 wherein R1 is hydrogen or C1-C3 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 -(Alk1)m-(Z)n-(Alk2)p as defined in the description; ring Ar1 is an optionally substituted divalent phenyl radical or divalent 5- or 6-membered monocyclic heteroaryl radical, in which L1 and the H[B]sL3L2Ar2CONH- radical are linked to adjacent ring carbon atoms; ring Ar2 is an optionally substituted 1,3-phenylene radical, or an optionally substituted divalent 5- or 6-membered monocyclic heteroaryl radical, in which AL1Ar1NHCO--radical and the H[B]sL3L2- radical are linked to ring carbon atoms which are not in ortho relationship; ring B is as defined for Ar2, or an optionally substituted cycloalkyl, N-pyrrolidinyl, N-piperidinyl or N-azepinyl ring; and s is 0 or 1.

  式(I)的化合物在调节CRTH2受体活性敏感的疾病治疗中有用，其中：A代表羧基-COOH或羧基生物同位素；L1是键，-CH2-，-OCH2-，-CH2CH2-或-CH=CH-；L2是CONH-，-NHCO-，SO2NR1-，-NR1SO2，其中R1是氢或C1-C3烷基，或者是式(X)或(Y)的二价基团，其中环Q是含有5到7个环原子的非芳杂环，包括所示的氮；L3是式-(Alk1)m-(Z)n-(Alk2)p定义的二价连接基团；环Ar1是可选取代的二价苯基基团或二价5-或6-成员单环杂芳基基团，其中L1和H[B]sL3L2Ar2CONH-基团连接到相邻的环碳原子；环Ar2是可选取代的1,3-苯基基团，或可选取代的二价5-或6-成员单环杂芳基基团，其中AL1Ar1NHCO-基团和H[B]sL3L2-基团连接到不处于邻位的环碳原子；环B与Ar2的定义相同，或是可选取代的环烷基，N-吡咯烷基，N-哌啶基或N-氮杂七元环；s为0或1。
• CRTH2 RECEPTOR LIGANDS FOR THERAPEUTIC USE
  申请人：7TM Pharma A/S

  公开号：EP1758571A1

  公开（公告）日：2007-03-07
• 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-，-OCH2-，-CH2CH2-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。