4-[2-(Dimethylamino)ethoxy]-2-methyl-5-(methylethyl)phenyl 4-(N-{[(nitrosothio)cyclohexyl]methyl}carbamoyl)butanoate hydrochloride | 260267-67-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 4-[2-(Dimethylamino)ethoxy]-2-methyl-5-(methylethyl)phenyl 4-(N-{[(nitrosothio)cyclohexyl]methyl}carbamoyl)butanoate hydrochloride
• 英文别名: [4-[2-(Dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] 5-[(1-nitrososulfanylcyclohexyl)methylamino]-5-oxopentanoate;hydrochloride
• CAS: 260267-67-2
• 化学式: C₂₆H₄₁N₃O₅S*ClH
• 分子量: 544.156
• InChiKey: DFMUWTNKHJVXPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.79
• 重原子数：
  36
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  123
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-[2-(Dimethylamino)ethoxy]-2-methyl-5-(methylethyl)phenyl 4-{N-[(sulfanylcyclohexyl)methyl]carbamoyl}butanoate 、 苯酚 在 盐酸 、 亚硝酸特丁酯 、 三氟乙酸 作用下， 以 二氯甲烷 、 水 、 甲苯 为溶剂， 以60%的产率得到4-[2-(Dimethylamino)ethoxy]-2-methyl-5-(methylethyl)phenyl 4-(N-{[(nitrosothio)cyclohexyl]methyl}carbamoyl)butanoate hydrochloride
  参考文献：
  名称：

  Nitrosated and nitrosylated alpha-adrenergic receptor antagonists, compositions and methods of use

  摘要：

  本发明描述了新型硝化和/或硝基化α-肾上腺素受体拮抗剂，以及包含至少一种硝化和/或硝基化α-肾上腺素受体拮抗剂的新型组合物，以及可选地包含一种或多种捐赠、转移或释放一氧化氮、提高内源性内皮衍生松弛因子水平、刺激内源性一氧化氮合成或是一氧化氮合成酶底物的化合物，和/或一种或多种血管活性药物。本发明还提供了包含至少一种α-肾上腺素受体拮抗剂和一种或多种捐赠、转移或释放一氧化氮、提高内源性内皮衍生松弛因子水平、刺激内源性一氧化氮合成或是一氧化氮合成酶底物，和/或一种或多种血管活性药物的新型组合物。本发明还提供了用于治疗或预防男性和女性的性功能障碍、增强男性和女性的性反应，以及治疗或预防良性前列腺增生、高血压、充血性心力衰竭、变异性（Printzmetal）心绞痛、青光眼、神经退行性疾病、血管痉挛性疾病、认知障碍、急迫性尿失禁或过度活跃膀胱，以及逆转麻醉状态的方法。

  公开号：

  US20020143007A1

文献信息

• [EN] NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE<br/>[FR] ANTAGONISTES NITROSES ET NITROSYLES DES RECEPTEURS ALPHA-ADRENERGIQUES, COMPOSITIONS ET METHODES D'UTILISATION
  申请人：NITROMED INC

  公开号：WO2000012075A1

  公开（公告）日：2000-03-09

  The present invention describes novel nitrosated and/or nitrosylated α-adrenergic receptor antagonists, and novel compositions containing at least one nitrosated and/or nitrosylated α-adrenergic receptor antagonist, and, optionally, one or more compounds that donate, transfer or release nitric oxide, elevate endogenous levels of endothelium-derived relaxing factor, stimulate endogenous synthesis of nitric oxide or are a substrate for nitric oxide synthase, and/or one or more vasoactive agents. The present invention also provides novel compositions containing at least one α-adrenergic receptor antagonist, and one or more compounds that donate, transfer or release nitric oxide, elevate endogenous levels of endothelium-derived relaxing factor, stimulate endogenous synthesis of nitric oxide or is a substrate for nitric oxide synthase and/or one or more vasoactive agents. The present invention also provides methods for treating or preventing sexual dysfunctions in males and females, for enhancing sexual responses in males and females, and for treating or preventing benign prostatic hyperplasia, hypertension, congestive heart failure, variant (Printzmetal) angina, glaucoma, neurodegenerative disorders, vasospastic diseases, cognitive disorders, urge incontinence, or overactive bladder, and for reversing the state of anesthesia.

  本发明描述了新型的硝化和/或亚硝化α-肾上腺素受体拮抗剂，以及至少包含一种硝化和/或亚硝化α-肾上腺素受体拮抗剂的新型组合物，以及可选地，一个或多个化合物，它们捐赠、转移或释放一氧化氮，提高内皮源性松弛因子的内源水平，刺激内源性一氧化氮的合成或是一氧化氮合酶的底物，和/或一个或多个血管活性药物。本发明还提供了至少包含一种α-肾上腺素受体拮抗剂、一个或多个化合物，它们捐赠、转移或释放一氧化氮，提高内皮源性松弛因子的内源水平，刺激内源性一氧化氮的合成或是一氧化氮合酶的底物，和/或一个或多个血管活性药物的新型组合物。本发明还提供了用于治疗或预防男女性功能障碍，增强男女性反应，治疗或预防良性前列腺增生、高血压、充血性心力衰竭、变异性（普林兹金属）心绞痛、青光眼、神经退行性疾病、血管痉挛性疾病、认知障碍、压力性尿失禁或过度活动性膀胱，以及逆转麻醉状态的方法。
• Nitrosated and nitrosylated alpha-adrenergic receptor antagonist compounds
  申请人：Garvey S. David

  公开号：US20050187222A1

  公开（公告）日：2005-08-25

  The present invention describes novel nitrosated and/or nitrosylated α-adrenergic receptor antagonists, and novel compositions containing at least one nitrosated and/or nitrosylated α-adrenergic receptor antagonist, and, optionally, one or more compounds that donate, transfer or release nitric oxide, elevate endogenous levels of endothelium-derived relaxing factor, stimulate endogenous synthesis of nitric oxide or are a substrate for nitric oxide synthase, and/or one or more vasoactive agents. The present invention also provides novel compositions containing at least one α-adrenergic receptor antagonist, and one or more compounds that donate, transfer or release nitric oxide, elevate endogenous levels of endothelium-derived relaxing factor, stimulate endogenous synthesis of nitric oxide or is a substrate for nitric oxide synthase and/or one or more vasoactive agents. The present invention also provides methods for treating or preventing sexual dysfunctions in males and females, for enhancing sexual responses in males and females, and for treating or preventing benign prostatic hyperplasia, hypertension, congestive heart failure, variant (Printzmetal) angina, glaucoma, neurodegenerative disorders, vasospastic diseases, cognitive disorders, urge incontinence, or overactive bladder, and for reversing the state of anesthesia.

  本发明描述了新型的硝化和/或亚硝化α-肾上腺素受体拮抗剂，以及包含至少一种硝化和/或亚硝化α-肾上腺素受体拮抗剂的新型组合物，以及可选地，一种或多种捐赠、转移或释放一氧化氮、提高内皮源性松弛因子内源水平、刺激内源性一氧化氮合成或是一氧化氮合酶底物的化合物和/或一种或多种血管活性剂。本发明还提供了包含至少一种α-肾上腺素受体拮抗剂和一种或多种捐赠、转移或释放一氧化氮、提高内皮源性松弛因子内源水平、刺激内源性一氧化氮合成或是一氧化氮合酶底物和/或一种或多种血管活性剂的新型组合物。本发明还提供了用于治疗或预防男女性功能障碍、增强男女性反应、治疗或预防良性前列腺增生、高血压、充血性心力衰竭、变异性（Printzmetal）心绞痛、青光眼、神经退行性疾病、血管痉挛性疾病、认知障碍、切欲性尿失禁或膀胱过度活动，并逆转麻醉状态的方法。
• EP1109542A4
  申请人：——

  公开号：EP1109542A4

  公开（公告）日：2008-03-26
• NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE
  申请人：Nitromed, Inc.

  公开号：EP1109542A1

  公开（公告）日：2001-06-27
• US6469065B1
  申请人：——

  公开号：US6469065B1

  公开（公告）日：2002-10-22