2,5-二甲基-1-(吡啶-4-基甲基)吡咯-3-羧酸 | 306936-15-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 中文名称: 2,5-二甲基-1-(吡啶-4-基甲基)吡咯-3-羧酸
• 英文名称: 2,5-dimethyl-1-(pyridin-4-ylmethyl)-1H-pyrrole-3-carboxylic acid
• 英文别名: 2,5-dimethyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylic acid
• CAS: 306936-15-2
• 化学式: C₁₃H₁₄N₂O₂
• mdl: MFCD01567218
• 分子量: 230.266
• InChiKey: IHQUENCAKSKBOG-UHFFFAOYSA-N

物化性质

• 熔点：
  171 °C
• 溶解度：
  32.2 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S24/25
• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  4-amidinobenzylamine dihydrochloride 、 2,5-二甲基-1-(吡啶-4-基甲基)吡咯-3-羧酸 在 PS-carbodiimide 、 1-羟基苯并三唑 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 72.0h， 生成 ASP-465
  参考文献：
  名称：

  INHIBITORS OF PLASMA KALLIKREIN

  摘要：

  本发明提供了一种抑制血浆卡利肌酶（PK）活性的化合物，以及预防和治疗PK依赖性疾病或情况中凝血酶形成的方法，例如，在纤溶治疗后。

  公开号：

  US20080038276A1

文献信息

• Acylated, heteroaryl-condensed cycloalkenylamines and their use as pharmaceuticals
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1388342A1

  公开（公告）日：2004-02-11

  The present invention relates to acylated, heteroaryl-condensed cycloalkenylamines of the formula I, in which A, R1, R2, R3, R4, R5 and n have the meanings indicated in the claims. The compounds of formula I are valuable pharmacologically active compounds which are useful in the treatment of various disease states including cardiovascular disorders such as atherosclerosis, thrombosis, coronary artery disease, hypertension and cardiac insufficiency. They upregulate the expression of the enzyme endothelial nitric oxide (NO) synthase and can be applied in conditions in which an increased expression of said enzyme or an increased NO level or the normalization of a decreased NO level is desired. The invention furthermore relates to processes for the preparation of compounds of the formula I, their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.

  本发明涉及公式I的酰化的异杂环缩合环烯基胺，其中A，R1，R2，R3，R4，R5和n具有声明中指定的含义。公式I的化合物是有价值的药理活性化合物，可用于治疗各种疾病状态，包括心血管疾病，如动脉粥样硬化，血栓形成，冠状动脉疾病，高血压和心脏衰竭。它们升调内皮一氧化氮（NO）合酶的表达，并可应用于需要增加该酶的表达或增加NO水平或恢复降低的NO水平的情况。本发明还涉及公式I化合物的制备方法，它们的使用，特别是作为药物中的活性成分，以及包含它们的制药制剂。
• N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives
  申请人：——

  公开号：US20040171881A1

  公开（公告）日：2004-09-02

  Disclosed are compounds of the formula 1 wherein the variables R N , R C , R 1 , R 25 , R 2 , and R 3 are as defined herein. These compounds have activity as inhibitors of beta-secretase and are therefore useful in treating a variety of discorders such as Alzheimer's Disease.

  本文披露了式1的化合物，其中变量RN、RC、R1、R25、R2和R3的定义如本文所述。这些化合物具有抑制β-分泌酶的活性，因此可用于治疗多种疾病，如阿尔茨海默病。
• Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment
  申请人：Bondy S. Steven

  公开号：US20070244148A1

  公开（公告）日：2007-10-18

  The present invention relates to a pharmaceutical composition for the treatment or prevention of viral infections comprising as an active principle at least one imidazo[4,5-c]pyridine prodrug having the general formula (Z): The invention also relates to processes for the preparation of compounds according to the invention having above mentioned general formula and their use as a medicine or to treat or prevent viral infections.

  本发明涉及一种用于治疗或预防病毒感染的药物组合物，其包含至少一种具有以下通式（Z）的咪唑[4,5-c]吡啶前药作为活性成分：本发明还涉及制备符合上述通式的化合物的方法以及它们作为药物或用于治疗或预防病毒感染的用途。
• IMIDAZO[4,5-c]PYRIDINE COMPOUNDS AND METHODS OF ANTIVIRAL TREATMENT
  申请人：Bondy Steven S.

  公开号：US20100028301A1

  公开（公告）日：2010-02-04

  The present invention relates to pharmaceutical compositions for the treatment or prevention of viral infections comprising as an active principle at least one imidazo[4,5-c]pyridine prodrug having the general Formula (A) wherein the substituents are described in the specification. The invention also relates to processes for the preparation and screening of compounds according to the invention having above mentioned general Formula and their use in the treatment or prophylaxis of viral infections.

  本发明涉及一种制备用于治疗或预防病毒感染的药物组合物，其包含至少一种咪唑并[4,5-c]吡啶前药作为活性成分，其通式为（A），其中取代基在规范中描述。该发明还涉及根据上述通式制备和筛选化合物的方法以及它们在治疗或预防病毒感染中的应用。
• Imidazo[4,5-d]pyrimidines, their uses and methods of preparation
  申请人：Puerstinger Gerhard

  公开号：US20090208456A1

  公开（公告）日：2009-08-20

  The present invention relates to pharmaceutical compositions for the treatment of prevention of viral infections comprising as an active principle at least one imidazo[4,5-c]pyrimidine having the general formula (A), wherein the substituents are described in the specification. The invention also relates to processes for the preparation of compounds according to the invention having above mentioned general formula, their pharmaceutically acceptable formulations and their use as a medicine or to treat or prevent viral infections.

  本发明涉及制备用于治疗或预防病毒感染的药物组合物，其中至少包括一种具有通式（A）的咪唑并[4,5-c]嘧啶类活性成分，其中取代基如规范所述。本发明还涉及制备符合上述通式的化合物的过程，其药学上可接受的配方以及它们作为药物或用于治疗或预防病毒感染的用途。