2-(5-Methylfuran-2-yl)butanal | 123821-11-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 2-(5-Methylfuran-2-yl)butanal
• CAS: 123821-11-4
• 化学式: C₉H₁₂O₂
• 分子量: 152.19
• InChiKey: PFLUFBMKOXFWSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• [EN] MCHIR ANTAGONISTS<br/>[FR] ANTAGONISTES DU MCH1R
  申请人：ASTRAZENECA AB

  公开号：WO2004004726A1

  公开（公告）日：2004-01-15

  The present invention provides compounds of formula (I), wherein R1 represents a C1-4alkoxy group optionally substituted by one or more fluoro or a C1-4alkyl group optionally substituted by one or more fluoro; n represents 0 or 1; R2 represents a C1-4alkyl group optionally substituted by one or more fluoro or a C1-4alkoxy group optionally substituted by one or more fluoro; m represents 0 or 1; R3 represents H or a C1-4alkyl group; L1 represents an alkylene chain (CH2)r in which r represents 2 or 3 or L1 represents a cyclohexyl group wherein the two nitrogens bearing R3 and R4, respectively, are linked to the cyclohexyl group either via the 1,3 or the 1,4 positions of the cyclohexyl group or L1 represents a cyclopentyl group wherein the two nitrogens bearing R3 and R4, respectively, are linked to the cyclopentyl group via the 1,3 position of the cyclopentyl group and additionally when R5 represents 9, 10-methanoanthracen-9(10H)-yl the group -L1-N(R4)- together represents a piperidyl ring which is linked to L2 through the piperidinyl nitrogen and to N-R3 via the 4 position of the piperidyl ring with the proviso that when R5 represents 9, 10-methanoanthracen-9(10H)-yl then r is only 2; R4 represents H or a C1-4alkyl group optionally substituted by one or more of the following: an aryl group or a heteroaryl group; L2 represents a bond or an alkylene chain (CH2)s in which s represents 1, 2 or 3 wherein the alkylene chain is optionally substituted by one or more of the following: a C1-4alkyl group, phenyl or heteroaryl; R5 represents aryl, a heterocyclic group or a C3-8cycloalkyl group which is optionally fused to a phenyl or to a heteroaryl group; as well as optical isomers and racemates thereof as well as pharmaceutically acceptable salts, thereof; with provisos, processes for preparing such compounds, their use in the treatment of obesity, psychiatric disorders, cognitive disorders, memory disorders, schizophrenia, epilepsy, and related conditions, and neurological disorders such as dementia, multiple sclerosis, Parkinson's disease, Huntington's chorea and Alzheier's disease and pain related disorders and to pharmaceutical compositions containing them.

  本发明提供了以下式（I）的化合物，其中R1代表一个C1-4烷氧基团，该基团可以选择地被一个或多个氟或一个C1-4烷基基团选择性地取代；n代表0或1；R2代表一个C1-4烷基基团，该基团可以选择地被一个或多个氟或一个C1-4烷氧基团选择性地取代；m代表0或1；R3代表H或一个C1-4烷基基团；L1代表一个烷基链（CH2）r，其中r代表2或3，或者L1代表一个环己基团，其中分别带有R3和R4的两个氮原子通过环己基团的1,3位或1,4位连接到环己基团，或者L1代表一个环戊基团，其中分别带有R3和R4的两个氮原子通过环戊基团的1,3位连接到环戊基团，另外当R5代表9,10-甲基蒽-9(10H)-基时，-L1-N(R4)-群共同代表一个通过哌啶环与L2通过哌啶氮连接并通过哌啶环的4位与N-R3连接的哌啶环，但当R5代表9,10-甲基蒽-9(10H)-基时，r仅为2；R4代表H或一个C1-4烷基基团，该基团可以选择地被以下之一或多个取代：芳基或杂芳基；L2代表一个键或一个烷基链（CH2）s，其中s代表1,2或3，其中该烷基链可以选择地被以下之一或多个取代：一个C1-4烷基基团，苯基或杂芳基；R5代表芳基，一个杂环基团或一个C3-8环烷基基团，该基团可以选择地与苯基或杂芳基融合；以及它们的光学异构体和拉氏体，以及其药学上可接受的盐；具有特定条件，制备这种化合物的方法，它们在治疗肥胖症、精神障碍、认知障碍、记忆障碍、精神分裂症、癫痫、以及相关疾病，以及神经系统疾病如痴呆症、多发性硬化症、帕金森病、亨廷顿舞蹈症、阿尔茨海默病和与疼痛相关的疾病的治疗中的用途，以及含有它们的药物组合物。
• Mchir antagonists
  申请人：Ray Kumar Asim

  公开号：US20060247439A1

  公开（公告）日：2006-11-02

  The present invention provides compounds of formula (I), wherein R 1 represents a C 1-4 alkoxy group optionally substituted by one or more fluoro or a C 1-4 alkyl group optionally substituted by one or more fluoro; n represents 0 or 1; R 2 represents a C 1-4 alkyl group optionally substituted by one or more fluoro or a C 1-4 alkoxy group optionally substituted by one or more fluoro; m represents 0 or 1; R 3 represents H or a C 1-4 alkyl group; L 1 represents an alkylene chain (CH 2 ) r in which r represents 2 or 3 or L 1 represents a cyclohexyl group wherein the two nitrogens bearing R 3 and R 4 , respectively, are linked to the cyclohexyl group either via the 1,3 or the 1,4 positions of the cyclohexyl group or L 1 represents a cyclopentyl group wherein the two nitrogens bearing R 3 and R 4 , respectively, are linked to the cyclopentyl group via the 1,3 position of the cyclopentyl group and additionally when R 5 represents 9,10-methanoanthracen-9(10H)-yl the group -L 1 -N(R 4 )— together represents a piperidyl ring which is linked to L 2 through the piperidinyl nitrogen and to N—R 3 via the 4 position of the piperidyl ring with the proviso that when R 5 represents 9,10-methanoanthracen-9(10H)-yl then r is only 2; R 4 represents H or a C 1-4 alkyl group optionally substituted by one or more of the following: an aryl group or a heteroaryl group; L 2 represents a bond or an alkylene chain (CH 2 ), in which s represents 1, 2 or 3 wherein the alkylene chain is optionally substituted by one or more of the following: a C 1-4 alkyl group, phenyl or heteroaryl; R 5 represents aryl, a heterocyclic group or a CH 3-8 cycloalkyl group which is optionally fused to a phenyl or to a heteroaryl group; as well as optical isomers and racemates thereof as well as pharmaceutically acceptable salts, thereof; with provisos, processes for preparing such compounds, their use in the treatment of obesity, psychiatric disorders, cognitive disorders, memory disorders, schizophrenia, epilepsy, and related conditions, and neurological disorders such as dementia, multiple sclerosis, Parkinson's disease, Huntington's chorea and Alzheimer's disease and pain related disorders and to pharmaceutical compositions containing them.

  本发明提供了式（I）的化合物，其中R1表示C1-4烷氧基，可选地取代为一个或多个氟或C1-4烷基，或可选地取代为一个或多个氟的C1-4烷氧基；n表示0或1；R2表示C1-4烷基，可选地取代为一个或多个氟或C1-4烷氧基，或可选地取代为一个或多个氟的C1-4烷基；m表示0或1；R3表示H或C1-4烷基；L1表示一个烷基链（CH2）r，其中r表示2或3，或表示一个环己基，其中R3和R4分别承载的两个氮原子通过环己基的1,3或1,4位置与环己基相连，或表示一个环戊基，其中R3和R4分别承载的两个氮原子通过环戊基的1,3位置与环戊基相连，且当R5表示9,10-甲基蒽-9（10H）-基时，-L1-N（R4）-一起表示与L2通过哌啶基氮相连的哌啶环，并且通过哌啶环的4位置与N-R3相连，但当R5表示9,10-甲基蒽-9（10H）-基时，r仅为2；R4表示H或C1-4烷基，可选地取代为以下一种或多种：芳基或杂芳基；L2表示键或烷基链（CH2），其中s表示1、2或3，所述烷基链可选地取代为以下一种或多种：C1-4烷基、苯基或杂芳基；R5表示芳基、杂环基或CH3-8环烷基，可选地与苯基或杂芳基融合；以及其光学异构体和拉丁体以及其制备过程，在肥胖、精神障碍、认知障碍、记忆障碍、精神分裂症、癫痫以及相关疾病、神经系统疾病如痴呆、多发性硬化症、帕金森病、亨廷顿舞蹈病和阿尔茨海默病以及与疼痛有关的疾病的治疗中使用，以及包含它们的制药组合物。
• NOVEL COCRYSTALLIZATION
  申请人：CHILDS Scott L.

  公开号：US20110257430A1

  公开（公告）日：2011-10-20

  The present disclosure relates to novel cocrystals and novel methods for cocrystallization. In particular, the disclosure includes cocrystals comprising a salt of an active agent, such as a chloride salt of an active pharmaceutical ingredient. The present disclosure also relates to methods of preparing cocrystals and methods for screening for solid state phases.

  本公开涉及新型共晶体及新型共晶化方法。具体来说，公开包括包含活性物质的盐的共晶体，例如活性药物成分的氯化物盐。本公开还涉及制备共晶体的方法以及筛选固态相的方法。
• Transparent liquids, in particular fabric treatment agents, comprising perfume and microcapsules with an odor modulator compound
  申请人：Henkel AG & Co. KGaA

  公开号：US10920176B2

  公开（公告）日：2021-02-16

  A liquid, transparent composition comprising microcapsules with at least one odor modulator compound, the composition also comprising at least one perfume. Even though the composition is in capsules, the transparent liquids can be produced using intense and lasting fragrances in the substrate.

  一种液态透明组合物，由含有至少一种气味调节化合物的微胶囊组成，该组合物还包括至少一种香水。即使该组合物是胶囊状的，也可以在基质中使用浓烈持久的香料来生产透明液体。
• MCH1R ANTAGONISTS
  申请人：Astrazeneca AB

  公开号：EP1528924A1

  公开（公告）日：2005-05-11