N-<(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl>amine | 81580-81-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: N-<(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl>amine
• 英文别名: (5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
• CAS: 81580-81-6
• 化学式: C₁₂H₁₇NO
• 分子量: 191.273
• InChiKey: XHESDJDYQNTNPZ-UHFFFAOYSA-N

物化性质

• 沸点：
  318.9±35.0 °C(Predicted)
• 密度：
  1.033±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  N-<(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl>amine 在 盐酸 、 羟胺 作用下， 以 甲苯 为溶剂， 反应 4.0h， 生成 N'-hydroxy-7-methoxy-1,3,3a,4,5,6-hexahydrobenzo[de]isoquinoline-2-carboximidamide
  参考文献：
  名称：

  Inhibitors of blood platelet aggregation. Activity of some 1H-benz[de]isoquinolinecarboximidamides on the in vivo blood platelet aggregation induced by collagen

  摘要：

  A series of 33 1H-benz[de]isoquinolinecarboximidamides has been prepared and tested in the rat after intraperitoneal (ip) and/or oral (po) administration for their ability to inhibit the in vivo blood platelet aggregation induced by collagen. In this aggregation test, a considerable number of active compounds were found. Fourteen compounds were active when administered in [0.2 (mmol/kg)/day], five of which also exhibited significant po activity. One compound was toxic after ip administration but was found to be active after po administration without apparent toxicity. It is thought that the solubility of the drug in water is an important factor for the resorption after oral administration and, hence, for its oral activity.

  DOI：

  10.1021/jm00348a020
• 作为产物：
  描述：

  5-甲氧基-3,4-二氢-2H-1-萘酮 在 potassium tert-butylate 、 甲基磺酰氯 、 三乙胺 、 三苯基膦 、 diborane(6) 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 生成 N-<(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl>amine
  参考文献：
  名称：

  通过钯催化、Nosylamide 导向的 CH 烯烃化反应对 β-烷基苯乙胺衍生物进行动力学拆分。

  摘要：

  钯催化的CH活化反应以其独特的高选择性、宽泛的官能团耐受性和高效性等特点引起了有机研究人员的关注，广泛应用于天然产物和不对称合成。在这里，我们报告了一个以 Boc-L-lle-OH 为配体、nosylamide 为导向基团的 β-烷基苯乙胺化合物和苯乙烯之间的对映选择性 CH 烯基化的例子。该反应适用于含有各种缺电子和供电子取代基的苯乙烯，可用于合成苯并氮杂化合物。

  DOI：

  10.3390/molecules28041852

文献信息

• [EN] HISTONE DEMETHYLASE INHIBITORS<br/>[FR] INHIBITEURS D'HISTONE DÉMÉTHYLASE
  申请人：QUANTICEL PHARMACEUTICALS INC

  公开号：WO2014100818A1

  公开（公告）日：2014-06-26

  The present invention relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted amidopyridine or amidopyridazine derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition histone demethylase. Furthermore, the subject compounds and compositions are useful for the treatment of cancer, such as prostate cancer, breast cancer, bladder cancer, lung cancer and/or melanoma and the like.

  本发明一般涉及治疗癌症和肿瘤性疾病的组合物和方法。本文提供了取代的吡啶或吡啶二氮杂环衍生物化合物和包含该化合物的药物组合物。所述化合物和组合物可用于抑制组蛋白去甲基化酶。此外，所述化合物和组合物可用于治疗癌症，如前列腺癌、乳腺癌、膀胱癌、肺癌和/或黑色素瘤等。
• First Intramolecular Alkylation of Nitriles with Primary and Secondary Alcohols Catalyzed by Iridium Complexes
  作者：Bruno Anxionnat、Domingo Gomez Pardo、Gino Ricci、Janine Cossy

  DOI：10.1002/ejoc.201200850

  日期：2012.8

  The first iridium‐catalyzed intramolecular alkylation of nitriles with primary and secondary alcohols through hydrogen transfer is described. This reaction allows access to precursors of biologically actives arylmethylamines.

  描述了通过氢转移，伯和仲醇与腈进行的首次铱催化的分子内烷基化反应。该反应允许获得生物活性的芳基甲胺的前体。
• HISTONE DEMETHYLASE INHIBITORS
  申请人：Quanticel Pharmaceuticals, Inc.

  公开号：US20150119397A1

  公开（公告）日：2015-04-30

  The present invention relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted amidopyridine or amidopyridazine derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition histone demethylase. Furthermore, the subject compounds and compositions are useful for the treatment of cancer, such as prostate cancer, breast cancer, bladder cancer, lung cancer and/or melanoma and the like.

  本发明涉及治疗癌症和肿瘤疾病的组合物和方法。本发明提供了取代的酰胺吡啶或酰胺吡嗪衍生物化合物和含有该化合物的制药组合物。所述化合物和组合物可用于抑制组蛋白去甲基化酶。此外，所述化合物和组合物可用于治疗癌症，如前列腺癌、乳腺癌、膀胱癌、肺癌和/或黑色素瘤等。
• Histone demethylase inhibitors
  申请人：CELGENE QUANTICEL RESEARCH, INC.

  公开号：US10179769B2

  公开（公告）日：2019-01-15

  The present invention relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted amidopyridine or amidopyridazine derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition histone demethylase. Furthermore, the subject compounds and compositions are useful for the treatment of cancer, such as prostate cancer, breast cancer, bladder cancer, lung cancer and/or melanoma and the like.

  本发明一般涉及治疗癌症和肿瘤性疾病的组合物和方法。本发明提供了取代的脒基吡啶或脒基哒嗪衍生物化合物以及包含上述化合物的药物组合物。所述化合物和组合物可用于抑制组蛋白去甲基化酶。此外，所述化合物和组合物还可用于治疗癌症，如前列腺癌、乳腺癌、膀胱癌、肺癌和/或黑色素瘤等。
• Structure−Activity Studies for a Novel Series of <i>N</i>-(Arylethyl)-<i>N</i>-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-<i>N</i>-methylamines Possessing Dual 5-HT Uptake Inhibiting and α₂-Antagonistic Activities
  作者：Michael D. Meyer、Arthur A. Hancock、Karin Tietje、Kevin B. Sippy、Rajnandan Prasad、David M. Stout、David L. Arendsen、B. Greg Donner、William A. Carroll

  DOI：10.1021/jm960723m

  日期：1997.3.1

  In search of an alpha(2)-antagonist/5-HT uptake inhibitor as a potential new class of antidepressant with a more rapid onset of action, compound 3 was prepared and observed to possess high affinity for the alpha(2)-receptor (K-i = 6.71 nM) and the 5-HT uptake site (20.6 nM). A series of tertiary amine analogs of 3 were synthesized and assayed for their affinity at both the alpha(2)-receptor and the 5-HT uptake site. The structure-activity relationship reveals that a variety of structural modifications to the arylethyl fragment are possible with retention of this dual activity. On the tetralin portion, 5-OMe substitution and the (R) stereochemistry at C-l are optimal with alternate substitutions producing compounds retaining high affinity for the alpha(2)-receptor but lacking affinity for the 5-HT uptake site. Data for several rigidified 5-O-alkyl analogs suggests that the favored orientation of the oxygen lone pairs may be away from the g-position of the tetralin.