8-(4-methyl-piperazin-1-yl)-4-oxo-4H-chromene-2-carboxylic acid hydrochloride | 442549-32-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 8-(4-methyl-piperazin-1-yl)-4-oxo-4H-chromene-2-carboxylic acid hydrochloride
• 英文别名: 8-(4-methyl-1-piperazinyl)-4-oxo-4H-chromene-2-carboxylic acid hydrochloride；8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid;hydrochloride
• CAS: 442549-32-8
• 化学式: C₁₅H₁₆N₂O₄*ClH
• 分子量: 324.764
• InChiKey: IBOJSHOMWQIFPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.66
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  70.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  8-(4-methyl-piperazin-1-yl)-4-oxo-4H-chromene-2-carboxylic acid hydrochloride 、 3-氨基-5-(2-呋喃基)吡唑 生成 8-(4-Methyl-piperazin-1-yl)-4-oxo-4H-chromene-2-carboxylic acid (5-furan-2-yl-1H-pyrazol-3-yl)-amide
  参考文献：
  名称：

  Therapeutic chroman compounds

  摘要：

  本文提供的是一种化合物，其化学式表示为（I），其中这些化合物对治疗偏头痛有用。还提供了制备化合物（I）和中间体的方法。

  公开号：

  US20040110745A1
• 作为产物：
  描述：

  ethyl 8-(4-methyl-1-piperazinyl)-4-oxo-4H-chromene-2-carboxylate 、 盐酸 在 甲苯 作用下， 反应 1.83h， 以to give 8-(4-methyl-1-piperazinyl)-4-oxo-4H-chromene-2-carboxylic acid hydrochloride as a yellow powder (1.02 g, quantitative yield)的产率得到8-(4-methyl-piperazin-1-yl)-4-oxo-4H-chromene-2-carboxylic acid hydrochloride
  参考文献：
  名称：

  Therapeutic heterocyclic compounds

  摘要：

  本文提供了一种具有以下化学式（I）的化合物：其中这些化合物可用于治疗精神障碍，包括但不限于抑郁症、广泛性焦虑症、进食障碍、痴呆症、惊恐障碍和睡眠障碍。这些化合物也可能对治疗胃肠道疾病、心血管调节、运动障碍、内分泌失调、血管痉挛和性功能障碍有用。这些化合物是5HT1B和5HT1D拮抗剂。

  公开号：

  US20050009818A1

文献信息

• Therapeutic chromone compounds
  申请人：——

  公开号：US20040087575A1

  公开（公告）日：2004-05-06

  Provided herein is a compound of the formula (I) wherein said compound is useful for the treatment of psychiatric disorders including but not limited to depression, generalized anxiety, eating, disorders, dementia, panic disorder, and sleep disorders. The compounds may also be useful in the treatment of gastrointestinal disorders, cardiovascular regulation, motor disorders, endocrine disorders, vasospasm and sexual dysfunction. The compounds are 5HT 1B antagonists. Also provided herein are processes for making compounds of Formula (I) and intermediate compounds.

  本文提供的是一种化合物，其化学式为（I），其中该化合物可用于治疗包括但不限于抑郁症、广泛性焦虑、进食障碍、痴呆症、恐慌障碍和睡眠障碍在内的精神疾病。这些化合物也可能对治疗胃肠道疾病、心血管调节、运动障碍、内分泌失调、血管痉挛和性功能障碍有用。这些化合物是5HT 1B 拮抗剂。本文还提供了制备化合物（I）和中间体化合物的方法。
• [EN] THERAPEUTIC QUINOLINE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES<br/>[FR] COMPOSES THERAPEUTIQUES A BASE DE QUINOLINE, ANTAGONISTES DES 5-HT
  申请人：ASTRAZENECA AB

  公开号：WO2003037872A1

  公开（公告）日：2003-05-08

  Provided herein is a compound having the formula (I), (R2 is typically a tertiary nitrogen atom, being either alkyl-substituted or member of a heterocyclic ring; R7 is typically a monocyclic or bicyclic aromatic ring or a heterocyclic ring) wherein said compounds are useful for the treatment of psychiatric disorders including but not limited to depression, generalized anxiety, eating disorders, dementia, panic disorder, and sleep disorders. The compounds may also be useful in the treatment of gastrointestinal disorders, cardiovascular regulation, motor disorders, endocrine disorders, vasospasm and sexual dysfunction. The compounds are 5HT1B and 5HT1D antagonists.

  本文提供的化合物具有式(I)，其中(R2通常是三级氮原子，可以是烷基取代或杂环环中的成员；R7通常是单环或双环芳香环或杂环环)，其中所述化合物可用于治疗精神障碍，包括但不限于抑郁症、广泛性焦虑症、进食障碍、痴呆症、惊恐障碍和睡眠障碍。该化合物也可能用于治疗胃肠疾病、心血管调节、运动障碍、内分泌障碍、血管痉挛和性功能障碍。该化合物是5HT1B和5HT1D拮抗剂。
• Therapeutic quinolone compounds with 5-ht-antagonistic properties
  申请人：Haeberlein Markus

  公开号：US20050085457A1

  公开（公告）日：2005-04-21

  Provided herein is a compound having the formula (I) (R 2 is typically a tertiary nitrogen atom, being either alkyl-substituted or member of q heterocyclic ring; R 7 is typically a monocyclic or bicyclic aromatic ring or a heterocyclic ring) wherein said compounds are useful for the treatment of psychiatric disorders including but not limited to depression, generalized anxiety, eating disorders, dementia, panic disorder, and sleep disorders. The compounds may also be useful in the treatment of gastrointestinal disorders, cardiovascular regulation, motor disorders, endocrine disorders, vasospasm and sexual dysfunction. The compounds are 5HT 1B and 5HT 1D antagonists.

  本文提供的化合物具有公式（I）（其中，R2通常是三级氮原子，可以是烷基取代或q杂环环成员; R7通常是单环或双环芳香环或杂环环），其中所述化合物可用于治疗精神障碍，包括但不限于抑郁症、广泛性焦虑、进食障碍、痴呆症、惊恐障碍和睡眠障碍。这些化合物还可以用于治疗胃肠道疾病、心血管调节、运动障碍、内分泌障碍、血管痉挛和性功能障碍。这些化合物是5HT1B和5HT1D拮抗剂。
• Therapeutic quinoline compounds
  申请人：Haeberlein Markus

  公开号：US20060178372A1

  公开（公告）日：2006-08-10

  Provided herein is a compound having the formula (I): Wherein said compounds are useful for the treatment of psychiatric disorders including but not limited to depression, generalized anxiety, eating disorders, dementia, panic disorder, and sleep disorders. The compounds may also be useful in the treatment of gastrointestinal disorders, cardiovascular regulation, motor disorders, endocrine disorders, vasospasm and sexual dysfunction. The compounds are 5HT 1B and 5HT 1D antagonists.

  本文提供的化合物具有公式（I）：其中所述的化合物可用于治疗精神障碍，包括但不限于抑郁症，广泛性焦虑症，进食障碍，痴呆症，惊恐障碍和睡眠障碍。该化合物还可以用于治疗胃肠道疾病，心血管调节，运动障碍，内分泌障碍，血管痉挛和性功能障碍。该化合物是5HT1B和5HT1D拮抗剂。
• Novel beta-hydroxyamides
  申请人：Manea Mircea

  公开号：US20050043560A1

  公开（公告）日：2005-02-24

  Disclosed is a novel β-hydroxylamide of general formula wherein R 1 is a linear or branched aliphatic hydrocarbon group optionally comprising one or more ether and/or ester units, such as a group derived from at least one hydroxyfunctional compound, R 2 is a linear or branched aliphatic and/or aromatic hydrocarbon group, such as a group derived from at least one carboxyfunctional compound or at least one anhydride halide or ester of a carboxyfunctional compound, R 3 is N-alkyl or N-cycloalkyl for instance derived from at least one alkanolamine, and wherein m is an integer and at least 1 and n is an integer and at least 2, In a further aspect the present invention refers to a process for synthesis of said β-hydroxyamide. The process comprises the Steps of (i) subjecting a di, tri or polyalcohol to alcoholysis with at least one di, tri or polyalkyl ester of a di, tri or polyfunctional carboxylic acid and (ii) subjecting obtained reaction product to aminolysis with at least one alkanolamine.

  本发明揭示了一种新型的β-羟基酰胺，其通式为： 其中，R1是线性或支链脂肪烃基，可选包括一个或多个醚和/或酯单位，例如由至少一种羟基官能化合物导出的基团；R2是线性或支链脂肪烃基和/或芳香烃基，例如由至少一种羧基官能化合物或至少一种羧基官能化合物的酸酐卤化物或酯导出的基团；R3是N-烷基或N-环烷基，例如由至少一种醇胺导出的基团；m是整数，至少为1；n是整数，至少为2。此外，本发明还涉及一种合成所述β-羟基酰胺的方法。该方法包括以下步骤：(i)将二元醇、三元醇或多元醇与至少一种二元酯、三元酯或多元酯的二元酯、三元酯或多元羧酸进行醇解反应；(ii)将得到的反应产物与至少一种醇胺进行胺解反应。