Isochroman-3-ylmethanamine | 256229-12-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: Isochroman-3-ylmethanamine
• 英文别名: 3,4-dihydro-1H-isochromen-3-ylmethanamine
• CAS: 256229-12-6
• 化学式: C₁₀H₁₃NO
• 分子量: 163.219
• InChiKey: MMZKPTNDPNDNKS-UHFFFAOYSA-N

物化性质

• 沸点：
  291.3±20.0 °C(Predicted)
• 密度：
  1.073±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Isochroman-3-ylmethanamine 在 N-甲基吡啶-4-羰甲醛苯磺酸盐 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 草酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.25h， 以40%的产率得到Isochroman-3-carbaldehyde
  参考文献：
  名称：

  Almond oxynitrilase-catalyzed transformation of aldehydes is strongly influenced by naphthyl and alkoxy substituents

  摘要：

  Different alpha- and beta-substituted aldehydes have been submitted to the catalytic action of almond oxynitrilase (PaHNL), in order to explore the influence of a stereocenter already present in the substrate on the selectivity of this enzyme.(1) The results indicate that naphthyl and alkoxy substituents in the alpha- and also in the beta-position to the aldehyde group significantly influence the stereochemical outcome of the PaHNL-catalyzed transformation. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(99)00427-9
• 作为产物：
  描述：

  3-异色酮 在 palladium on activated charcoal lithium aluminium tetrahydride 、 氢气 、 正丁胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 7.0h， 生成 Isochroman-3-ylmethanamine
  参考文献：
  名称：

  Almond oxynitrilase-catalyzed transformation of aldehydes is strongly influenced by naphthyl and alkoxy substituents

  摘要：

  Different alpha- and beta-substituted aldehydes have been submitted to the catalytic action of almond oxynitrilase (PaHNL), in order to explore the influence of a stereocenter already present in the substrate on the selectivity of this enzyme.(1) The results indicate that naphthyl and alkoxy substituents in the alpha- and also in the beta-position to the aldehyde group significantly influence the stereochemical outcome of the PaHNL-catalyzed transformation. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(99)00427-9

文献信息

• [EN] ANDROGEN MODULATORS<br/>[FR] MODULATEURS D'ANDROGENES
  申请人：WARNER LAMBERT CO

  公开号：WO2005100305A1

  公开（公告）日：2005-10-27

  The present invention is directed to a new class of 4-cyano-phenoxy-alkyl carboxyl derivatives and to their use as androgen receptor modulators. Other aspects of the invention are directed to the use of these compounds to decrease excess sebum secretions and to stimulate hair growth.

  本发明涉及一种新的4-氰基苯氧基-烷基羧酸衍生物类别，以及它们作为雄激素受体调节剂的用途。该发明的其他方面涉及使用这些化合物来减少多余的皮脂分泌并刺激生发。
• COMPOUNDS USEFUL AS INHIBITORS OF ROCK KINASES
  申请人：Swann Steven L.

  公开号：US20090258907A1

  公开（公告）日：2009-10-15

  Disclosed herein are compounds of formula (I) or pharmaceutical acceptable salts thereof, wherein X, R 1 , R 2 , R 3 , R 4 , L 1 , and m, are defined in the specification. Compositions comprising said compounds which can be useful for inhibiting Rho kinase (ROCK) and methods for using said compositions are also described.

  本文披露了公式(I)的化合物或其药物可接受的盐，其中X、R1、R2、R3、R4、L1和m在规范中定义。还描述了包含所述化合物的组合物，其可以用于抑制Rho激酶（ROCK），以及使用所述组合物的方法。
• Androgen modulators
  申请人：Hu Lain-Yen

  公开号：US20070197641A1

  公开（公告）日：2007-08-23

  The present invention is directed to a new class of 4-cyano-phenoxy-alkyl carboxyl derivatives and to their use as androgen receptor modulators. Other aspects of the invention are directed to the use of these compounds to decrease excess sebum secretions and to stimulate hair growth.

  本发明涉及一种新型的4-氰基苯氧基-烷基羧酸衍生物类，以及它们作为雄激素受体调节剂的用途。本发明的其他方面涉及使用这些化合物来减少多余的皮脂分泌和刺激头发生长。
• ANDROGEN MODULATORS
  申请人：Hu Lain-Yen

  公开号：US20090192202A1

  公开（公告）日：2009-07-30

  The present invention is directed to a new class of 4-cyano-phenoxy-alkyl carboxyl derivatives and to their use as androgen receptor modulators. Other aspects of the invention are directed to the use of these compounds to decrease excess sebum secretions and to stimulate hair growth.

  本发明涉及一种新的4-氰基苯氧基-烷基羧酸衍生物类别，以及它们作为雄激素受体调节剂的用途。发明的其他方面涉及使用这些化合物来减少过多的皮脂分泌和刺激头发生长。
• US4994486A
  申请人：——

  公开号：US4994486A

  公开（公告）日：1991-02-19