4-bromo-3,5-dimethyl-pyrrole-2-carboxylic acid | 562074-46-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 4-bromo-3,5-dimethyl-pyrrole-2-carboxylic acid
• 英文别名: 4-Brom-3,5-dimethyl-pyrrol-2-carbonsaeure；4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylic acid；3,5-dimethyl-4-bromopyrrole-2-carboxylic acid
• CAS: 562074-46-8
• 化学式: C₇H₈BrNO₂
• 分子量: 218.05
• InChiKey: HAEVZKQRENIKEV-UHFFFAOYSA-N

物化性质

• 沸点：
  370.1±42.0 °C(Predicted)
• 密度：
  1.690±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  53.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,5-二甲基-2-吡咯甲醛 、 4-bromo-3,5-dimethyl-pyrrole-2-carboxylic acid 在 乙醇 、 氢溴酸 作用下， 生成 (4-bromo-3,5-dimethyl-pyrrol-2-ylidene)-(3,5-dimethyl-pyrrol-2-yl)-methane
  参考文献：
  名称：

  Fischer et al., Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1943, vol. 279, p. 1,19

  摘要：

  DOI：
• 作为产物：
  描述：

  4-溴-3,5-二甲基-1H-吡咯-2-羧酸乙酯 在 sodium hydroxide 、 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 生成 4-bromo-3,5-dimethyl-pyrrole-2-carboxylic acid
  参考文献：
  名称：

  EP1466902

  摘要：

  公开号：

文献信息

• Androgen receptor antagonists
  申请人：Furuya Shuichi

  公开号：US20050101657A1

  公开（公告）日：2005-05-12

  The present invention provides an androgen receptor antagonistic agent and a superior prophylactic or therapeutic agent for hormone-sensitive cancer, which contain a compound of the formula: wherein, R 1 is a hydrogen atom, a group binding through a carbon atom, a group binding through a nitrogen atom, a group binding through an oxygen atom or a group binding through a sulfur atom, R 2 is a hydrogen atom, a group binding through a carbon atom, a group binding through a nitrogen atom, a group binding through an oxygen atom or a group binding through a sulfur atom, R 3 is a hydrogen atom, a hydrocarbon group which may have substituent(s), an acyl group or a heterocyclic group which may have substituent(s), R 4 is a hydrogen atom, a group binding through a carbon atom, a group binding through a nitrogen atom, a group binding through an oxygen atom or a group binding through a sulfur atom, and R 5 is a cyclic group which may have substituent(s); or a salt thereof, or its prodrug.

  本发明提供了一种雄激素受体拮抗剂，以及一种优越的预防或治疗激素敏感性癌症的药物，其含有式中的化合物：其中，R1是氢原子、通过碳原子结合的基团、通过氮原子结合的基团、通过氧原子结合的基团或通过硫原子结合的基团，R2是氢原子、通过碳原子结合的基团、通过氮原子结合的基团、通过氧原子结合的基团或通过硫原子结合的基团，R3是氢原子、可能具有取代基的碳氢基团、酰基或可能具有取代基的杂环基团，R4是氢原子、通过碳原子结合的基团、通过氮原子结合的基团、通过氧原子结合的基团或通过硫原子结合的基团，R5是可能具有取代基的环状基团；或其盐或前药。
• Pyrrole-Derivatives as Factor Xa Inhibitors
  申请人：BAUER Armin

  公开号：US20070049573A1

  公开（公告）日：2007-03-01

  The present invention relates to compounds of the formulae (I) and (Ia), wherein R 0 ; R 1 ; R3; R4; R22, Q; V, G and M have the meanings indicated in the claims. The compounds of the formulae (I) and (Ia) are valuable pharmacologically active compounds. They exhibit a strong antithrombotic effect and are suitable for the therapy and prophylaxis of cardiovascular disorders like thromboembolic diseases or restenoses. They are reversible inhibitors of the blood clotting enzymes factor Xa (FXa) and/or factor VIIa (FVIIa), and can in general be applied in conditions in which an undesired activity of factor Xa and/or factor VIIa is present or for the cure or prevention of which an inhibition of factor Xa and/or factor VIIa is intended. The invention furthermore relates to processes for the preparation of compounds of the formulae (I) and (Ia), their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.

  本发明涉及公式（I）和（Ia）的化合物，其中R0、R1、R3、R4、R22、Q、V、G和M具有所述权利要求中指示的含义。公式（I）和（Ia）的化合物是有价值的药理活性化合物。它们表现出强烈的抗血栓作用，适用于治疗和预防心血管疾病，如血栓栓塞性疾病或再狭窄。它们是血凝酶酶因子Xa（FXa）和/或因子VIIa（FVIIa）的可逆抑制剂，并且通常可用于存在因子Xa和/或因子VIIa的不良活性或预防其发生的情况下，或者用于治疗或预防需要抑制因子Xa和/或因子VIIa的情况。此外，本发明还涉及制备公式（I）和（Ia）的化合物的方法，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。
• Pyrrole-derivatives as factor Xa inhibitors
  申请人：SANOFI-AVENTIS Deutschland GmbH

  公开号：US07465806B2

  公开（公告）日：2008-12-16

  The present invention relates to compounds of the formulae I and Ia, wherein R0; R1; R3; R4; R22, Q; V, G and M have the meanings indicated in the claims. The compounds of the formulae I and Ia are valuable pharmacologically active compounds. They exhibit a strong antithrombotic effect and are suitable for the therapy and prophylaxis of cardiovascular disorders like thromboembolic diseases or restenoses. They are reversible inhibitors of the blood clotting enzymes factor Xa (FXa) and/or factor VIIa (FVIIa), and can in general be applied in conditions in which an undesired activity of factor Xa and/or factor VIIa is present or for the cure or prevention of which an inhibition of factor Xa and/or factor VIIa is intended. The invention furthermore relates to processes for the preparation of compounds of the formulae I and Ia, their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.

  本发明涉及式I和Ia化合物，其中R0、R1、R3、R4、R22、Q、V、G和M具有所述权利要求中指定的含义。式I和Ia化合物是有价值的药理活性化合物。它们具有强烈的抗血栓作用，适用于治疗和预防心血管疾病，如血栓栓塞性疾病或再狭窄。它们是血凝酶酶因子Xa（FXa）和/或因子VIIa（FVIIa）的可逆抑制剂，通常可应用于存在因子Xa和/或因子VIIa的不良活性或需要抑制因子Xa和/或因子VIIa的治疗或预防的情况。此外，本发明还涉及制备式I和Ia化合物的过程，它们的用途，特别是作为药物中的活性成分，以及包含它们的制药制剂。
• ANDROGEN RECEPTOR ANTAGONISTS
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1466902A1

  公开（公告）日：2004-10-13

  The present invention provides an androgen receptor antagonistic agent and a superior prophylactic or therapeutic agent for hormone-sensitive cancer, which contain a compound of the formula: wherein, R1 is a hydrogen atom, a group binding through a carbon atom, a group binding through a nitrogen atom, a group binding through an oxygen atom or a group binding through a sulfur atom; R2 is a hydrogen atom, a group binding through a carbon atom, a group binding through a nitrogen atom, a group binding through an oxygen atom or a group binding through a sulfur atom, R3 is a hydrogen atom, a hydrocarbon group which may have substituent (s) , an acyl group or a heterocyclic group which may have substituent(s), R4 is a hydrogen atom, a group binding through a carbon atom, a group binding through a nitrogen atom, a group binding through an oxygen atom or a group binding through a sulfur atom, and R5 is a cyclic group which may have substituent(s); or a salt thereof, or its prodrug.

  本发明提供了一种雄激素受体拮抗剂和一种激素敏感性癌症的高级预防或治疗剂，其中含有一种式化合物： 其中，R1 是氢原子、通过碳原子结合的基团、通过氮原子结合的基团、通过氧原子结合的基团或通过硫原子结合的基团；R2 是氢原子、通过碳原子结合的基团、通过氮原子结合的基团、通过氧原子结合 的基团或通过硫原子结合的基团； R3 是氢原子、烃基，该烃基可能具有取代基（s）、R4 是氢原子、通过碳原子结合的基团、通过氮原子结合的基团、通过氧原子结合的基团或通过硫原子结合的基团，R5 是可能带有取代基的环状基团；或其盐或其原药。
• Fischer; Ernst, Justus Liebigs Annalen der Chemie, 1926, vol. 447, p. 153
  作者：Fischer、Ernst

  DOI：——

  日期：——