(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-ol | 890664-13-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (5-fluoro-1H-indol-3-yl)-2-methylpropan-1-ol
• 英文别名: 3-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-ol
• CAS: 890664-13-8
• 化学式: C₁₂H₁₄FNO
• 分子量: 207.248
• InChiKey: MDFXEBHFRNJRSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  36
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (5-fluoro-1H-indol-3-yl)-2-methylpropan-1-ol 在 吡啶 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 作用下， 以 二甲基亚砜 、 甲苯 为溶剂， 反应 5.0h， 以78%的产率得到3-(5-fluoro-1H-indol-3-yl)-2-methylpropanal
  参考文献：
  名称：

  [EN] 3-AMINO CHOMAN AND 2-AMINO TETRALIN DERIVATIVES
  [FR] DERIVES 3-AMINO CHOMANE ET 2-AMINO TETRALINE

  摘要：

  揭示了3-氨基色苷和2-氨基四氢萘衍生物以及含有这些化合物的组合物。还揭示了在治疗血清素失调症，如抑郁症和焦虑症中使用3-氨基色苷和2-氨基四氢萘化合物以及含有这些化合物的组合物的方法。

  公开号：

  WO2005012291A1
• 作为产物：
  描述：

  3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以89%的产率得到(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-ol
  参考文献：
  名称：

  [EN] 3-AMINO CHOMAN AND 2-AMINO TETRALIN DERIVATIVES
  [FR] DERIVES 3-AMINO CHOMANE ET 2-AMINO TETRALINE

  摘要：

  揭示了3-氨基色苷和2-氨基四氢萘衍生物以及含有这些化合物的组合物。还揭示了在治疗血清素失调症，如抑郁症和焦虑症中使用3-氨基色苷和2-氨基四氢萘化合物以及含有这些化合物的组合物的方法。

  公开号：

  WO2005012291A1

文献信息

• Alkylacetylene substituted Acyltryptophanols
  申请人：Bayer Schering Pharma AG

  公开号：EP2019102A1

  公开（公告）日：2009-01-28

  The present invention relates to acyltryptophanols of the general formula I, in which R1, R2, R3, Q and X have the meaning as defined in the description. The compounds according to the invention are effective FSH antagonists and can be used for example for fertility control in men or in women, or for the prevention and/or treatment of osteoporosis.

  本发明涉及一般式I的酰基色氨酸醇，其中R1、R2、R3、Q和X的含义如描述中所定义。本发明中的化合物是有效的FSH拮抗剂，例如可用于男性或女性的生育控制，或用于骨质疏松症的预防和/或治疗。
• 3-Amino chroman and 2-amino tetralin derivatives
  申请人：Hatzenbuhler Theriault Nicole

  公开号：US20050032873A1

  公开（公告）日：2005-02-10

  3-Amino chroman and 2-amino tetralin derivatives and compositions containing such compounds are disclosed. Methods of using the 3-amino chroman and 2-amino tetralin compounds and compositions containing such compounds in the treatment of serotonin disorders, such as depression and anxiety, are also disclosed.

  本文披露了3-氨基色满和2-氨基四氢萘衍生物及含有这些化合物的组合物。还披露了使用3-氨基色满和2-氨基四氢萘化合物及含有这些化合物的组合物治疗血清素失调症，如抑郁和焦虑的方法。
• PHENYPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION
  申请人：Feenstra W. Roelof

  公开号：US20070142397A2

  公开（公告）日：2007-06-21

  The invention relates to a group of novel phenylpiperazine derivatives with a dual mode of action: serotonin reuptake inhibition and partial agonism on dopamine-D 2 receptors. The invention also relates to the use of a compound disclosed herein for the manufacture of a medicament giving a beneficial effect. The compounds have the general formula (1): wherein the symbols have the meanings given in the specification.

  本发明涉及一组新型苯基哌嗪衍生物，具有双重作用模式：抑制5-羟色胺再摄取和部分激动多巴胺D2受体。本发明还涉及使用本文所披露的化合物制造具有有益效果的药物。这些化合物的通式为（1）：其中符号具有规范中所给出的含义。
• Advances toward New Antidepressants with Dual Serotonin Transporter and 5-HT_1A Receptor Affinity within a Class of 3-Aminochroman Derivatives. Part 2
  作者：Nicole T. Hatzenbuhler、Reinhardt Baudy、Deborah A. Evrard、Amedeo Failli、Boyd L. Harrison、Steven Lenicek、Richard E. Mewshaw、Annmarie Saab、Uresh Shah、Jean Sze、Minsheng Zhang、Dahui Zhou、Michael Chlenov、Michael Kagan、Jeannette Golembieski、Geoffrey Hornby、Margaret Lai、Deborah L. Smith、Kelly M. Sullivan、Lee E. Schechter、Terrance H. Andree

  DOI：10.1021/jm8007097

  日期：2008.11.13

  Novel compounds combining a 5-HT1A moiety (3-aminochroman scaffold) and a 5-HT transporter (indole analogues) linked through,a common basic nitrogen via an alkyl chain attached at the 1- or 3-position of the indole were evaluated for dual affinity at both the 5-HT reuptake site and the 5-HT1A receptor. Compounds of most interest were found to have a 5-carbamoyl-8-fluoro-3-amino-3,4-dihydro-2H-1-benzopyran linked to a 3-alkylindole (straight chain), more specifically substituted with a 5-fluoro ((R)-(-)-35c), 5-cyano ((-)-52a), or 5,7-difluoro ((-)-52g). Several factors contributed to 5-HT1A affinity, serotonin rat transporter affinity, and functional antagonism in vitro. Although most of our analogues showed good to excellent affinities at both targets, specific features such as cyclobutyl substitution on the basic nitrogen and stereochemistry at the 3-position of the chroman moiety seemed necessary for antagonism at the 5-HT1A receptor. Branched linkers seemed to impart antagonism even as racemates, however, potency of these analogues in the functional assay was not desirable enough to further pursue these compounds.
• 3-AMINO CHROMAN AND 2-AMINO TETRALIN DERIVATIVES
  申请人：Wyeth

  公开号：EP1651637A1

  公开（公告）日：2006-05-03