2-[(6-溴-2,3,4,9-四氢-1H-咔唑-1-基)氨基]乙醇 | 221028-13-3

• 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
• 中文名称: 2-[(6-溴-2,3,4,9-四氢-1H-咔唑-1-基)氨基]乙醇
• 英文名称: 2-((6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino)ethanol
• 英文别名: 2-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol
• CAS: 221028-13-3
• 化学式: C₁₄H₁₇BrN₂O
• 分子量: 309.206
• InChiKey: KMLNANRKCDKNGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  48
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-[(6-溴-2,3,4,9-四氢-1H-咔唑-1-基)氨基]乙醇 在 ammonium chloride 作用下， 以 二苯醚 为溶剂， 反应 2.0h， 以52%的产率得到8-Bromo-3H-pyrazino[3,2,1-jk]carbazole
  参考文献：
  名称：

  Shanmugasundaram; Prasad, K.J. Rajendra, Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1998, vol. 37, # 11, p. 1133 - 1136

  摘要：

  DOI：
• 作为产物：
  描述：

  2-[6-Bromo-2,3,4,9-tetrahydro-carbazol-(1E)-ylideneamino]-ethanol 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以95%的产率得到2-[(6-溴-2,3,4,9-四氢-1H-咔唑-1-基)氨基]乙醇
  参考文献：
  名称：

  Shanmugasundaram; Prasad, K.J. Rajendra, Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1998, vol. 37, # 11, p. 1133 - 1136

  摘要：

  DOI：

文献信息

• [EN] NOVEL MEANS AND METHODS FOR TREATING DISEASES OF THE CENTRAL NERVOUS SYSTEM, METABOLIC AND CARDIAC DISEASES AND AGING<br/>[FR] NOUVEAUX MOYENS ET MÉTHODES POUR LE TRAITEMENT DE MALADIES DU SYSTÈME NERVEUX CENTRAL, DE MALADIES CARDIAQUES ET MÉTABOLIQUES ET DU VIEILLISSEMENT
  申请人：UNIV MUENCHEN L MAXIMILIANS

  公开号：WO2013139929A1

  公开（公告）日：2013-09-26

  This invention relates to a compound of formula (la) or (Ila) wherein either (A) R1 is I and R2 is selected from substituted or unsubstituted piperidinyl, preferably N-substituted or unsubstituted piperidin-4-yl; substituted or unsubstituted cyclohexyl, cyclopentyl, or cyclohexyl alkyl; substituted or unsubstituted aryl-alkyl; alkyl; aryl; - CHO; and hydrogen; or (B) R1 is selected from halogen; substituted or unsubstituted alkoxy; substituted or unsubstituted alkyl; cyano; and hydrogen; and R2 is substituted or unsubstituted piperidinyl, preferably N-substituted or unsubstituted piperidin-4-yl; and R3, R4 and R5 independently are either H or defined as R1; R6 is H; alkyl or aryl-alkyl, or R2 and R6 together with the N attached thereto form a 5- or 6-membered ring, preferably pyrrol; each of the m occurrences of R7 is independently selected from C1 to C4 alkyl, C1 to C4 alkoxy and halogen, preferably F; and m being 0, 1, 2, 3 or 4; X is selected from NH; N-alkyl, preferably NCH3; N- aryl-alkyl; S; and O; wherein in formula (la) R2 and X together may alternatively form or comprise a 6-membered ring, said 6-membered ring preferably being piperazine; n is 0, 1 or 2; the substituents being independently selected from alkyl, aryl-alkyl; alkoxy, aryl, hydroxy; halogen; oxo; and thio; alkyl being branched, unbranched and/or cyclic C1 to C10 alkyl, preferably branched or unbranched C1 to C4 alkyl, more preferably methyl, ethyl, n-propyl, i- propyl, i-butyl or t-butyl; alkoxy being C1 to C4 alkoxy, preferably methoxy; aryl being phenyl, naphthyl or tetrahydronaphthyl, preferably phenyl; or a compound of any one of Tables 3 to 46; or a salt or hydrate thereof.

  本发明涉及一种化合物，其化学式为（Ia）或（IIa），其中（A）R1为I，R2选自取代或未取代的哌啶基，优选N-取代或未取代的哌啶-4-基；取代或未取代的环己基、环戊基或环己基烷基；取代或未取代的芳基-烷基；烷基；芳基；-CHO；和氢；或者（B）R1选自卤素；取代或未取代的烷氧基；取代或未取代的烷基；氰基；和氢；R2为取代或未取代的哌啶基，优选N-取代或未取代的哌啶-4-基；R3、R4和R5独立地为H或被定义为R1；R6为H；烷基或芳基-烷基，或者R2和R6与其连接的N共同形成5-或6-成员环，优选吡咯；每个R7的m次出现独立地选自C1到C4烷基、C1到C4烷氧基和卤素，优选F；m为0、1、2、3或4；X选自NH；N-烷基，优选NCH3；N-芳基-烷基；S；和O；其中在化学式（Ia）中，R2和X共同可以形成或包含一个6-成员环，该6-成员环优选为哌嗪；n为0、1或2；取代基独立地选自烷基、芳基-烷基；烷氧基、芳基、羟基；卤素；氧化物；和硫代基；烷基为支链、直链和/或环状C1到C10烷基，优选支链或直链C1到C4烷基，更优选甲基、乙基、正丙基、异丙基、异丁基或叔丁基；烷氧基为C1到C4烷氧基，优选甲氧基；芳基为苯基、萘基或四氢萘基，优选苯基；或者为表3至表46中的任一化合物；或其盐或水合物。
• Tetrahydrocarbazoles as Active Agents for Inhibiting VEGF Production by Translational Control
  申请人：Lennox William

  公开号：US20090042866A1

  公开（公告）日：2009-02-12

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  申请人：PTC Therapeutics, Inc.

  公开号：US20150141418A1

  公开（公告）日：2015-05-21

  The present invention relates to methods, compounds, and compositions for inhibiting angiogenesis. More particularly, the present invention relates to methods, compounds, and compositions for inhibiting VEGF production.

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  公开号：US20140329863A1

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  申请人：——

  公开号：US8946444B2

  公开（公告）日：2015-02-03