N-[2-(6,7-二氯-5-甲氧基-2-甲基-1H-吲哚-3-基)乙基]乙酰胺 | 104513-29-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: N-[2-(6,7-二氯-5-甲氧基-2-甲基-1H-吲哚-3-基)乙基]乙酰胺
• 英文名称: 6,7-diChloro-2-methylmelatonin
• 英文别名: 2-methyl-6,7-dichloromelatonin；N-[2-(6,7-dichloro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]acetamide
• CAS: 104513-29-3
• 化学式: C₁₄H₁₆Cl₂N₂O₂
• 分子量: 315.199
• InChiKey: IKEWSFJJQOLSPU-UHFFFAOYSA-N

物化性质

• 沸点：
  567.4±50.0 °C(Predicted)
• 密度：
  1.325±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  54.1
• 氢给体数：
  2
• 氢受体数：
  2

文献信息

• NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION
  申请人：Barlow Carrolee

  公开号：US20070049576A1

  公开（公告）日：2007-03-01

  The instant disclosure describes methods for treating diseases and conditions of the central and peripheral nervous system by stimulating or increasing neurogenesis. The disclosure includes compositions and methods based on muscarinic receptor modulation, such as via inhibition of acetylcholine esterase (AChE) activity, alone or in combination with another neurogenic agent to stimulate or activate the formation of new nerve cells.

  该即时披露描述了通过刺激或增加神经发生来治疗中枢神经系统和外周神经系统的疾病和病症的方法。该披露包括基于毒蕈碱受体调节的组合物和方法，例如通过抑制乙酰胆碱酯酶（AChE）活性，单独或与另一种神经生成剂结合以刺激或激活新神经细胞的形成。
• Substituted 2-amidotetralins as melatonin agonists and antagonists
  申请人：NORTHWESTERN UNIVERSITY

  公开号：EP0420064A2

  公开（公告）日：1991-04-03

  The present invention relates generally to compounds having melatonin receptor activities and in particular to substituted 2-amidotetralin derivatives; to pharmaceutical preparations comprising such compounds; and to methods for using these compounds as therapeutic and diagnostic reagents.

  本发明一般涉及具有褪黑激素受体活性的化合物，特别是取代的 2-脒基四氢萘衍生物；涉及包含这些化合物的药物制剂；以及涉及将这些化合物用作治疗和诊断试剂的方法。
• Compounds useful as antiproliferative agents
  申请人：WHITBY RESEARCH, Inc.

  公开号：EP0549916A2

  公开（公告）日：1993-07-07

  Melatonin compounds are disclosed of the formula where R is hydrogen or C1 to C6 linear or branched alkylene substituted with phenyl; R1 is hydrogen, substituted benzyl, naphthylmethyl or taken together with R2 and the two carbon atoms of the five-membered hetero ring form the group where R1' is C1 to C6 linear or branched alkanoyl and R1" is hydrogen, C1 to C6 linear or branched alkyl or phenyl optionally substituted with one or more halogen, amino, nitro, hydroxy, alkyl, alkoxy or haloalkyl; R2 is hydrogen, 1-pyrrolyl, 1-pyrrolyl substituted with one or more alkyl or alkoxy, the group -(CH2)m-NHR2'1, where m is 1 to 3 and R2' is phenyl sulfonyl, the phenyl group optionally substituted with alkyl, or -C(O)-R2", where R2" is C1 to C6 linear or branched alkylene substituted with a substituent selected from the group consisting of hydrogen, phenyl, alkoxy, alkoxy substituted with phenyl, carboxylic acid or the alkyl esters thereof, carbamoyloxy alkyl, substituted carbamoyloxy alkyl and amino or 5-(2-alkanoyl) tetrazole; R3, R4, R5 and R6 are the same or different and are hydrogen, C1 to C61inear or branched alkyl, C1 to C6 linear or branched alkoxy, phenoxy or phenoxy substituted with one or more C1 to C6 linear or branched alkyl. The compounds display melatonin antagonist and are antiproliferative agents.

  褪黑素化合物的公开式为 其中 R 是氢或被苯基取代的 C1 至 C6 直链或支链亚烷基；R1 是氢、取代的苄基、萘甲基或与 R2 和五元杂环的两个碳原子一起形成基团 其中 R1'为 C1 至 C6 直链或支链烷酰基，R1 "为氢、C1 至 C6 直链或支链烷基或苯基，可选择被一个或多个卤素、氨基、硝基、羟基、烷基、烷氧基或卤代烷基取代；R2 是氢、1-吡咯基、被一个或多个烷基或烷氧基取代的 1-吡咯基、基团-(CH2)m-NHR2'1（其中 m 为 1 至 3）和 R2'是苯磺酰基（苯基可选择被烷基取代）或-C(O)-R2"、其中 R2 "是被选自氢、苯基、烷氧基、被苯基取代的烷氧基、羧酸或其烷基酯、氨基甲酰氧基烷基、取代的氨基甲酰氧基烷基和氨基或 5-（2-烷酰基）四唑的取代基取代的 C1 至 C6 直链或支链亚烷基；R3、R4、R5 和 R6 相同或不同，并且是氢、C1 至 C61 直链或支链烷基、C1 至 C6 直链或支链烷氧基、苯氧基或被一个或多个 C1 至 C6 直链或支链烷基取代的苯氧基。这些化合物具有褪黑激素拮抗作用，是抗增殖剂。
• Neurogenesis by muscarinic receptor modulation with sabcomelin
  申请人：Braincells, Inc.

  公开号：EP2258359A2

  公开（公告）日：2010-12-08

  The instant disclosure describes methods for treating diseases and conditions of the central and peripheral nervous system by stimulating or increasing neurogenesis. The disclosure includes compositions and methods based on muscarinic receptor modulation, such as via inhibition of acetylcholine esterase (AChE) activity, alone or in combination with another neurogenic agent to stimulate or activate the formation of new nerve cells.

  本公开描述了通过刺激或增加神经发生来治疗中枢和周围神经系统疾病和病症的方法。本公开包括基于毒蕈碱受体调节的组合物和方法，例如通过抑制乙酰胆碱酯酶（AChE）活性，单独或与另一种神经发生剂联合使用，以刺激或激活新神经细胞的形成。
• Neurogenesis by muscarinic receptor modulation
  申请人：Braincells, Inc.

  公开号：EP2275095A2

  公开（公告）日：2011-01-19

  The instant disclosure describes methods for treating diseases and conditions of the central and peripheral nervous system by stimulating or increasing neurogenesis. The disclosure includes compositions and methods based on muscarinic receptor modulation, such as via inhibition of acetylcholine esterase (AChE) activity, alone or in combination with another neurogenic agent to stimulate or activate the formation of new nerve cells.

  本公开描述了通过刺激或增加神经发生来治疗中枢和周围神经系统疾病和病症的方法。本公开包括基于毒蕈碱受体调节的组合物和方法，例如通过抑制乙酰胆碱酯酶（AChE）活性，单独或与另一种神经发生剂联合使用，以刺激或激活新神经细胞的形成。