7-Oxo-4,5,6,7-Tetrahydro-1H-Indole-2-Carboxylic Acid | 1160263-48-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 7-Oxo-4,5,6,7-Tetrahydro-1H-Indole-2-Carboxylic Acid
• 英文别名: 7-oxo-1,4,5,6-tetrahydroindole-2-carboxylic acid
• CAS: 1160263-48-8
• 化学式: C₉H₉NO₃
• 分子量: 179.175
• InChiKey: BFUDREDPSOKLML-UHFFFAOYSA-N

物化性质

• 沸点：
  489.6±45.0 °C(Predicted)
• 密度：
  1.449±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  70.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-Oxo-4,5,6,7-Tetrahydro-1H-Indole-2-Carboxylic Acid 在 草酰氯 作用下， 以 四氢呋喃 、 乙醚 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.25h， 生成 (7-Hydroxy-7-methyl-1,4,5,6-tetrahydroindol-2-yl)-(4-methylpiperazin-1-yl)methanone
  参考文献：
  名称：

  EP2460794

  摘要：

  公开号：
• 作为产物：
  描述：

  7-氧代-4,5,6,7-四氢-1H-吲哚-2-羧酸乙酯 在 水 、 sodium hydroxide 、 盐酸 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 1.5h， 以83%的产率得到7-Oxo-4,5,6,7-Tetrahydro-1H-Indole-2-Carboxylic Acid
  参考文献：
  名称：

  EP2460794

  摘要：

  公开号：

文献信息

• Nitrogen-containing heterocyclic compound and use thereof
  申请人：Ikeura Yoshinori

  公开号：US20090156572A1

  公开（公告）日：2009-06-18

  The present invention relates to a compound represented by the formula wherein ring A is a nitrogen-containing heterocycle optionally further having substituent(s), ring B is an aromatic ring optionally having substituent(s), ring C is a cyclic group optionally having substituent(s), R 1 is a hydrogen atom, a hydrocarbon group optionally having substituent(s), an acyl group, a heterocyclic group optionally having substituent(s) or an amino group optionally having substituent(s), R 2 is an optionally halogenated C 1-6 alkyl group, m and n are each an integer of 0 to 5, m+n is an integer of 2 to 5, and is a single bond or a double bond, or a salt thereof and the like. Since the compound has a superior tachykinin receptor antagonistic action, and is useful as an agent for the prophylaxis or treatment of various diseases such as lower urinary tract diseases, gastrointestinal diseases, central nervous system diseases and the like.

  本发明涉及一种由下式表示的化合物：其中环A是含氮杂环，可选择地进一步具有取代基，环B是芳香环，可选择地具有取代基，环C是环状基团，可选择地具有取代基，R1是氢原子，一个碳氢基团，可选择地具有取代基，酰基，一个杂环基团，可选择地具有取代基或一个氨基团，可选择地具有取代基，R2是可选择卤代的C1-6烷基基团，m和n分别是0到5的整数，m+n是2到5的整数，是单键或双键，或其盐等。由于该化合物具有优越的催吐肽受体拮抗作用，可用作预防或治疗多种疾病的药物，如下尿道疾病、胃肠道疾病、中枢神经系统疾病等。
• PHARMACEUTICAL COMPOSITION CONTAINING FUSED HETERO-RING DERIVATIVE
  申请人：Shionogi & Co., Ltd.

  公开号：EP2460794A1

  公开（公告）日：2012-06-06

  The present invention provides a compound which indicates a histamine H4 receptor modulating activity. A compound represented by a formula (I): wherein A ring is a ring represented by the following formula: wherein R1 is substituted or unsubstituted alkyl, etc., W is -O-, etc., n is an integer of 0 to 6; X is N(R7)- or -O-; R7 is hydrogen, substituted or unsubstituted alkyl, etc.; Y is-C(R8)= or -N=; R8 is hydrogen, substituted or unsubstituted alkyl, etc.; Z is =O, =S, etc.; B ring is a ring represented by the following formula wherein R10 is each independently substituted or unsubstituted alkyl, halogen, hydroxy, substituted or unsubstituted alkyloxy, substituted or unsubstituted amino; R11, R12a and R12b are each independently hydrogen or substituted or unsubstituted alkyl, etc.; p is an integer of 0 to 4, or its pharmaceutically acceptable salt, or a solvate thereof.

  本发明提供了一种具有组胺 H4 受体调节活性的化合物。 由式（I）代表的化合物： 其中 一个环是由下式表示的环： 其中 R1是取代或未取代的烷基等，W是-O-等，n是0至6的整数；X是N(R7)-或-O-；R7是氢、取代或未取代的烷基等；Y是-C(R8)=或-N=；R8是氢、取代或未取代的烷基等；Z是=O、=S等； B 环是由下式表示的环 其中 R10各自独立地为取代或未取代的烷基、卤素、羟基、取代或未取代的烷氧基、取代或未取代的氨基；R11、R12a和R12b各自独立地为氢或取代或未取代的烷基等；p为0至4的整数，或其药学上可接受的盐，或其溶液。
• US8470816B2
  申请人：——

  公开号：US8470816B2

  公开（公告）日：2013-06-25
• [EN] NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF<br/>[FR] COMPOSÉ HÉTÉROCYCLIQUE CONTENANT DE L'AZOTE ET SON UTILISATION
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2009072643A1

  公开（公告）日：2009-06-11

  The present invention relates to a compound represented by the formula wherein ring A is a nitrogen-containing heterocycle optionally further having substituent(s), ring B is an aromatic ring optionally having substituent(s), ring C is a cyclic group optionally having substituent(s), R1 is a hydrogen atom, a hydrocarbon group optionally having substituent(s), an acyl group, a heterocyclic group optionally having substituent(s) or an amino group optionally having substituent(s), R2 is an optionally halogenated C1-6 alkyl group, m and n are each an integer of 0 to 5, m+n is an integer of 2 to 5, and is a single bond or a double bond, or a salt thereof and the like. Since the compound has a superior tachykinin receptor antagonistic action, and is useful as an agent for the prophylaxis or treatment of various diseases such as lower urinary tract diseases, gastrointestinal diseases, central nervous system diseases and the like.