pyrrol-1-yl-acetic acid amide | 89532-47-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: pyrrol-1-yl-acetic acid amide
• 英文别名: Pyrrol-1-yl-essigsaeure-amid；1-Pyrrolylacetamid；N-Pyrryl-acetamid；1H-Pyrrole-1-acetamide；2-pyrrol-1-ylacetamide
• CAS: 89532-47-8
• 化学式: C₆H₈N₂O
• 分子量: 124.142
• InChiKey: MRQDZZYADCGMBK-UHFFFAOYSA-N

物化性质

• 熔点：
  171-172 °C
• 沸点：
  301.1±25.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  48
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  pyrrol-1-yl-acetic acid amide 在 lithium aluminium tetrahydride 、 乙醚 作用下， 生成 2-(1H-吡咯-1-基)-1-乙胺
  参考文献：
  名称：

  Klamerth; Kutscher, Chemische Berichte, 1952, vol. 85, p. 444,445

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(1H-吡咯-1-基)乙酸乙酯 在 ammonium hydroxide 作用下， 生成 pyrrol-1-yl-acetic acid amide
  参考文献：
  名称：

  VI。—吡咯的新衍生物。第一部分.3-酮-4：5-二氢二-（1：2）-吡咯和8-酮-5：6：7：8-四氢吡咯啉的合成

  摘要：

  DOI：

  10.1039/jr9310000049

文献信息

• [EN] FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES FUSIONNÉS ET LEUR UTILISATION
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2009136663A1

  公开（公告）日：2009-11-12

  The present invention provides a fused heterocyclic derivative having a strong kinase inhibitory activity and use thereof. The present invention relates to a compound represented by the formula wherein each symbol is as defined in the present specification, or a salt thereof.

  本发明提供了一种具有强烈激酶抑制活性的融合杂环衍生物及其用途。本发明涉及本说明书中所定义的符号表示的化合物，或其盐。
• Isoquinoline derivatives as matrix metalloproteinase inhibitors
  申请人：——

  公开号：US20040044000A1

  公开（公告）日：2004-03-04

  This invention provides compounds defined by Formula I 1 or a pharmaceutically acceptable salt thereof, wherein R 1 , Q, Y, R 2 , R 3 , R 4 , R 5 , and n are as defined in the specification. The invention also provides pharmaceutical compositions comprising a compound of Formula I, or a pharmaceutically acceptable salt thereof, as defined in the specification, together with a pharmaceutically acceptable carrier, diluent, or excipient. The invention also provides methods of inhibiting an MMP-13 enzyme in an animal, comprising administering to the animal a compound of Formula I, or a pharmaceutically acceptable salt thereof. The invention also provides methods of treating a disease mediated by an MMP-13 enzyme in a patient, comprising administering to the patient a compound of Formula I, or a pharmaceutically acceptable salt thereof, either alone or in a pharmaceutical composition. The invention also provides methods of treating diseases such as heart disease, multiple sclerosis, osteo- and rheumatoid arthritis, arthritis other than osteo- or rheumatoid arthritis, cardiac insufficiency, inflammatory bowel disease, heart failure, age-related macular degeneration, chronic obstructive pulmonary disease, asthma, periodontal diseases, psoriasis, atherosclerosis, and osteoporosis in a patient, comprising administering to the patient a compound of Formula I, or a pharmaceutically acceptable salt thereof, either alone or in a pharmaceutical composition. The invention also provides combinations, comprising a compound of Formula I, or a pharmaceutically acceptable salt thereof, together with another pharmaceutically active component as described in the specification.

  该发明提供了由公式I1定义的化合物或其药学上可接受的盐，其中R1、Q、Y、R2、R3、R4、R5和n的定义如规范中所述。该发明还提供了药物组合物，包括公式I中定义的化合物或其药学上可接受的盐，以及药学上可接受的载体、稀释剂或赋形剂。该发明还提供了抑制动物中MMP-13酶的方法，包括向动物给予公式I中定义的化合物或其药学上可接受的盐。该发明还提供了治疗由MMP-13酶介导的疾病的方法，包括向患者单独或与药物组合物一起给予公式I中定义的化合物或其药学上可接受的盐。该发明还提供了治疗心脏病、多发性硬化症、骨关节炎、除骨关节炎或类风湿性关节炎以外的其他关节炎、心力衰竭、炎症性肠病、心力衰竭、老年性黄斑变性、慢性阻塞性肺疾病、哮喘、牙周疾病、银屑病、动脉粥样硬化和骨质疏松症的方法，包括向患者单独或与药物组合物一起给予公式I中定义的化合物或其药学上可接受的盐。该发明还提供了组合物，包括公式I中定义的化合物或其药学上可接受的盐，以及规范中描述的另一种药学活性成分。
• FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF
  申请人：Miyamoto Naoki

  公开号：US20110046169A1

  公开（公告）日：2011-02-24

  The present invention provides a fused heterocyclic derivative having a strong kinase inhibitory activity and use thereof. The present invention relates to a compound represented by the formula wherein each symbol is as defined in the present specification, or a salt thereof.

  本发明提供了一种具有强大的激酶抑制活性的熔合杂环衍生物及其使用。本发明涉及一种由式子所表示的化合物，其中每个符号如本说明书中所定义的，或其盐。
• FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF
  申请人：OGURO Yuya

  公开号：US20090163488A1

  公开（公告）日：2009-06-25

  A compound represented by the formula (I): wherein Z 1 , Z 2 , Z 3 and Z 4 are the following combination, (Z 1 ,Z 2 ,Z 3 ,Z 4 )=(CR 4 ,N,CR 5 ,C), (N,N,CR 5 ,C), (N,C,CR 5 ,N), (S,C,CR 5 ,C) or (S,C,N,C); R 1 and R 2 are the same or different and each is (1) a hydrogen atom, (2) a halogen atom, (3) a group bonded via a carbon atom, (4) a group bonded via a nitrogen atom, (5) a group bonded via an oxygen atom or (6) a group bonded via a sulfur atom; R 3 is an amino optionally having substituent(s); R 4 and R 5 are the same or different and each is (1) a hydrogen atom, (2) a halogen atom, (3) a group bonded via a carbon atom, (4) a group bonded via a nitrogen atom, (5) a group bonded via an oxygen atom or (6) a group bonded via a sulfur atom; R 3 and R 4 optionally form a ring optionally having substituent(s); and a group represented by the formula is a cyclic group optionally having substituent(s), or a salt thereof.

  化合物的分子式为（I）：其中Z1，Z2，Z3和Z4是以下组合，（Z1，Z2，Z3，Z4）=（CR4，N，CR5，C），（N，N，CR5，C），（N，C，CR5，N），（S，C，CR5，C）或（S，C，N，C）; R1和R2相同或不同，每个都是（1）氢原子，（2）卤原子，（3）通过碳原子键合的基团，（4）通过氮原子键合的基团，（5）通过氧原子键合的基团或（6）通过硫原子键合的基团; R3是氨基，可以有取代基; R4和R5相同或不同，每个都是（1）氢原子，（2）卤原子，（3）通过碳原子键合的基团，（4）通过氮原子键合的基团，（5）通过氧原子键合的基团或（6）通过硫原子键合的基团; R3和R4可以选择形成一个环，也可以有取代基; 以及由公式表示的基团是一个环状基团，可以有取代基，或其盐。
• Pyrrole-2-acetylamino acid derivatives
  申请人：McNeilab, Inc.

  公开号：EP0115424A1

  公开（公告）日：1984-08-08

  Novel pyrrole-2-acetylamino compounds of the formula (5): and salts thereof, wherein R" is H, C,-6 alkyl, (CH2)nCO2H, CH2CH2SCH3, (CH2)4NH2 or (CH2)2CONH2; and n is 1 or 2; and Y is hydrogen and Q is CH3 or Y is CH3 and Q is Cl, have utility as anti-inflammatory agents and esters of the compounds of the above formula which are useful as intermediates to make said compounds. When Y is H and Q is CH3, the compounds have, in lower dosages, the same nonsteroidal anti- inflammatory utility as tolmetin and when Y is CH3 and Q is Cl, the compounds have the same analgesic and anti- inflammatory utility as zomepirac but with reduced liability toward gastrointestinal irritation.

  式 (5) 的新型吡咯-2-乙酰氨基化合物： 及其盐类，其中 R "为 H、C,-6 烷基、(CH2)nCO2H、CH2CH2SCH3、(CH2)4NH2 或 (CH2)2CONH2；n 为 1 或 2；Y 为氢，Q 为 CH3 或 Y 为 CH3，Q 为 Cl，可用作抗炎剂，上式化合物的酯类可用作制造上述化合物的中间体。当 Y 为 H、Q 为 CH3 时，这些化合物在较低剂量下具有与托美汀相同的非甾体抗炎作用；当 Y 为 CH3、Q 为 Cl 时，这些化合物具有与佐美吡拉克相同的镇痛和抗炎作用，但胃肠道刺激性降低。