2-甲基-2-丙基(6-羟基-3-己烷基)氨基甲酸酯 | 694446-87-2

• 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: 2-甲基-2-丙基(6-羟基-3-己烷基)氨基甲酸酯
• 英文名称: tert-butyl (1-ethyl-4-hydroxybutyl)carbamate
• 英文别名: tert-butyl N-(6-hydroxyhexan-3-yl)carbamate
• CAS: 694446-87-2
• 化学式: C₁₁H₂₃NO₃
• 分子量: 217.309
• InChiKey: WXDNHTNXWAXWGI-UHFFFAOYSA-N

物化性质

• 沸点：
  328.0±25.0 °C(Predicted)
• 密度：
  0.986±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-甲基-2-丙基(6-羟基-3-己烷基)氨基甲酸酯 在 TEA 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 生成 tert-butyl [4-(diethylamino)-1-ethylbutyl]carbamate
  参考文献：
  名称：

  N-Acridin-9-yl-butane-1,4-diamine derivatives: high-affinity ligands of the α2δ subunit of voltage gated calcium channels

  摘要：

  A series of N-acridin-9-yl-butane-1,4-diamines were found to be high-affinity ligands of the alpha(2)deltasubunit of voltage gated calcium channels. The SAR studies of butane-1,4-diamine side chain resulted in the identification of compound 10 (IC50=9 nM), which is more potent than gabapentin (IC50=27 nM). Partial saturation of the acridine ring was also pursued and provided a compound with higher binding affinity than 1. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.087
• 作为产物：
  描述：

  6-{[tert-butyl(diphenyl)silyl]oxy}hexanol 在 TEA 、 四丁基氟化铵 、 三苯基膦 、 肼 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 2-甲基-2-丙基(6-羟基-3-己烷基)氨基甲酸酯
  参考文献：
  名称：

  N-Acridin-9-yl-butane-1,4-diamine derivatives: high-affinity ligands of the α2δ subunit of voltage gated calcium channels

  摘要：

  A series of N-acridin-9-yl-butane-1,4-diamines were found to be high-affinity ligands of the alpha(2)deltasubunit of voltage gated calcium channels. The SAR studies of butane-1,4-diamine side chain resulted in the identification of compound 10 (IC50=9 nM), which is more potent than gabapentin (IC50=27 nM). Partial saturation of the acridine ring was also pursued and provided a compound with higher binding affinity than 1. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.087

文献信息

• [EN] PYRIDIN-4-YLAMINE COMPOUNDS USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN<br/>[FR] COMPOSES DE PYRIDIN-4-YLAMINE CONVENANT POUR LE TRAITEMENT DE LA DOULEUR NEUROPATHIQUE
  申请人：MERCK & CO INC

  公开号：WO2005051915A1

  公开（公告）日：2005-06-09

  The present invention is directed to a method of use of triazolo-pyridazine compounds in the treatment of neuropathic pain. The present invention is also directed to the use of triazolo-pyridazine compounds in the treatment of psychiatric and mood disorders such as, for example, schizophrenia, anxiety, depression, bipolar disorders, and panic, as well as in the treatment of pain, Parkinson’s disease, cognitive dysfunction, epilepsy, circadian rhythm and sleep disorders - such as shift-work induced sleep disorder and jet-lag, drug addiction, drug abuse, drug withdrawal and other diseases. The present invention is also directed to novel triazolo-pyridazine compounds that selectively bind to α2δ-1 subunit of Ca channels.

  本发明涉及一种在治疗神经病性疼痛中使用三唑吡啶化合物的方法。本发明还涉及在治疗精神和情绪障碍，如精神分裂症、焦虑、抑郁、躁郁症和恐慌，以及在治疗疼痛、帕金森病、认知功能障碍、癫痫、昼夜节律和睡眠障碍（如倒班引起的睡眠障碍和时差反应）、药物成瘾、药物滥用、药物戒断和其他疾病中使用三唑吡啶化合物的方法。本发明还涉及选择性结合到Ca通道α2δ-1亚基的新型三唑吡啶化合物。
• Pyridin-4-ylamine compounds useful in the treatment of neuropathic pain
  申请人：Lim Jongwon

  公开号：US20070099950A1

  公开（公告）日：2007-05-03

  The present invention is directed to a method of use of triazolo-pyridazine compounds in the treatment of neuropathic pain. The present invention is also directed to the use of triazolo-pyridazine compounds in the treatment of psychiatric and mood disorders such as, for example, schizophrenia, anxiety, depression, bipolar disorders, and panic, as well as in the treatment of pain, Parkinson's disease, cognitive dysfunction, epilepsy, circadian rhythm and sleep disorders—such as shift-work induced sleep disorder and jet-lag, drug addiction, drug abuse, drug withdrawal and other diseases. The present invention is also directed to novel triazolo-pyridazine compounds that selectively bind to α 2 δ-1 subunit of Ca channels.

  本发明涉及使用三唑-吡啶嗪化合物治疗神经病性疼痛的方法。本发明还涉及使用三唑-吡啶嗪化合物治疗精神和情绪障碍，例如精神分裂症、焦虑、抑郁、双相情感障碍和惊恐症，以及治疗疼痛、帕金森病、认知功能障碍、癫痫、昼夜节律和睡眠障碍，如倒班工作引起的睡眠障碍和时差反应，药物成瘾、药物滥用、戒断症状和其他疾病。本发明还涉及新型的三唑-吡啶嗪化合物，它们选择性地结合到钙通道的α2δ-1亚单位上。
• FUSED CYCLOPENTYL ANTAGONISTS OF CCR2
  申请人：Janssen Pharmaceutica NV

  公开号：EP2834234B1

  公开（公告）日：2017-09-13
• N-Acridin-9-yl-butane-1,4-diamine derivatives: high-affinity ligands of the α2δ subunit of voltage gated calcium channels
  作者：Jongwon Lim、Nicholas Stock、Richard Pracitto、Julia K Boueres、Benito Munoz、Ashok Chaudhary、Angelina M Santini、Karia Orr、Hervé Schaffhauser、Robert E Bezverkov、Jayashree Aiyar、Shankar Venkatraman

  DOI：10.1016/j.bmcl.2004.01.087

  日期：2004.4

  A series of N-acridin-9-yl-butane-1,4-diamines were found to be high-affinity ligands of the alpha(2)deltasubunit of voltage gated calcium channels. The SAR studies of butane-1,4-diamine side chain resulted in the identification of compound 10 (IC50=9 nM), which is more potent than gabapentin (IC50=27 nM). Partial saturation of the acridine ring was also pursued and provided a compound with higher binding affinity than 1. (C) 2004 Elsevier Ltd. All rights reserved.