1-(4-((1,3-benzodioxol-5-ylmethyl)amino)-6-chloro-2-quinazolinyl)-4-piperidine-carboxylic acid ethyl ester | 150452-01-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1-(4-((1,3-benzodioxol-5-ylmethyl)amino)-6-chloro-2-quinazolinyl)-4-piperidine-carboxylic acid ethyl ester
• 英文别名: 2-(4-ethoxycarbonylpiperidino)-4-(3,4-methylenedioxybenzyl)amino-6-chloroquinazoline；(4-Ethoxycarbonylpiperidino)-4-(3,4-methylenedioxybenzyl)amino-6-chloroquinazoline；2-(4-Ethoxycarbonylpiperidino)-4-(3,4-methylenedioxy-benzyl)amino-6-chloroquinazoline；ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinazolin-2-yl]piperidine-4-carboxylate
• CAS: 150452-01-0
• 化学式: C₂₄H₂₅ClN₄O₄
• 分子量: 468.94
• InChiKey: TYVBFVCIADCIIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  85.8
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-(4-((1,3-benzodioxol-5-ylmethyl)amino)-6-chloro-2-quinazolinyl)-4-piperidine-carboxylic acid ethyl ester 以98的产率得到1-[-4-[(1,3-benzodioxol-5-ylmethyl)amino]-6-chloro-2-quinazolinyl]-4-piperidine-carboxylic acid
  参考文献：
  名称：

  Benzimidazoles for ischemic heart conditions

  摘要：

  本发明提供了一种氮杂环化合物，其通式为（1），或其药学上可接受的盐，适用于各种缺血性心脏病等疾病：##STR1## 在公式（1）中，环A代表苯环，吡啶环或环己烷环；环B代表吡啶环，嘧啶环或咪唑环，R.sup.1、R.sup.2、R.sup.3、R.sup.4、R.sup.5和R.sup.6的定义如本文所述。

  公开号：

  US05693652A1
• 作为产物：
  描述：

  2.6-dichloro-4-(3,4-methylenedioxybenzyl)aminoquinazoline 在 sodium hydroxide 作用下， 以 氯仿 、 苯酚 为溶剂， 以53%的产率得到1-(4-((1,3-benzodioxol-5-ylmethyl)amino)-6-chloro-2-quinazolinyl)-4-piperidine-carboxylic acid ethyl ester
  参考文献：
  名称：

  Nitrosated and nitrosylated phosphodiesterase inhibitors, compositions and methods of use

  摘要：

  本发明描述了新型的硝化和/或亚硝化磷酸二酯酶抑制剂，以及含有至少一种硝化和/或亚硝化磷酸二酯酶抑制剂的新型组合物，以及可选地含有一种或多种捐赠、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的底物和/或一种或多种血管活性剂的化合物的新型组合物。本发明还提供了含有至少一种磷酸二酯酶抑制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的底物和/或一种或多种血管活性剂的化合物的新型组合物。本发明还提供了用于治疗或预防男性和女性性功能障碍、增强男性和女性性反应以及治疗或预防由环磷酸鸟苷3′,5′-单磷酸（cGMP）代谢增加引起的疾病的方法，例如高血压、肺动脉高压、充血性心力衰竭、肾功能衰竭、心肌梗死、稳定、不稳定和变异性（普林兹梅塔尔）心绞痛、动脉粥样硬化、心脏水肿、肾功能不全、肾病性水肿、肝性水肿、中风、哮喘、支气管炎、慢性阻塞性肺疾病（COPD）、囊性纤维化、痴呆、免疫缺陷、早产、痛经、良性前列腺增生（BPH）、膀胱出口梗阻、失禁、血管通透性降低的疾病，例如经皮冠状动脉成形术后（post-PTCA）、周围血管疾病、过敏性鼻炎、青光眼和以肠道运动障碍为特征的疾病，例如肠易激综合征（IBS）。

  公开号：

  US06331543B1

文献信息

• Anti-ischemic 2,4-diaminoquinazolines
  申请人：Eisai Co., Ltd.

  公开号：US05576322A1

  公开（公告）日：1996-11-19

  The invention is directed to certain 2,4-diaminoquinazoline compounds, their pharmaceutically acceptable salts, the pharmaceutical compositions comprising those compounds and their therapeutic methods of use. The compounds possess anti-ischemic activity.

  这项发明涉及特定的2,4-二氨基喹唑啉化合物，它们的药用盐，包含这些化合物的药物组合物以及它们的治疗用途方法。这些化合物具有抗缺血活性。
• Nitrosated and nitrosylated phosphodiesterase inhibitors, compositions and methods of use
  申请人：NitroMed, Inc.

  公开号：US06331543B1

  公开（公告）日：2001-12-18

  The present invention describes novel nitrosated and/or nitrosylated phosphodiesterase inhibitors, and novel compositions containing at least one nitrosated and/or nitrosylated phosphodiesterase inhibitor, 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 is a substrate for nitric oxide synthase and/or one or more vasoactive agents. The present invention also provides novel compositions containing at least one phosphodiesterase inhibitor, 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 diseases induced by the increased metabolism of cyclic guanosine 3′,5′-monophosphate (cGMP), such as hypertension, pulmonary hypertension, congestive heart failure, renal failure, myocardial infraction, stable, unstable and variant (Prinzmetal) angina, atherosclerosis, cardiac edema, renal insufficiency, nephrotic edema, hepatic edema, stroke, asthma, bronchitis, chronic obstructive pulmonary disease (COPD), cystic fibrosis, dementia, immunodeficiency, premature labor, dysmenorrhoea, benign prostatic hyperplasis (BPH), bladder outlet obstruction, incontinence, conditions of reduced blood vessel patency, e.g., postpercutaneous transluminal coronary angioplasty (post-PTCA), peripheral vascular disease, allergic rhinitis, glucoma, and diseases characterized by disorders of gut motility, e.g., irritable bowel syndrome (IBS).

  本发明描述了新型的硝化和/或亚硝化磷酸二酯酶抑制剂，以及含有至少一种硝化和/或亚硝化磷酸二酯酶抑制剂的新型组合物，以及可选地含有一种或多种捐赠、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的底物和/或一种或多种血管活性剂的化合物的新型组合物。本发明还提供了含有至少一种磷酸二酯酶抑制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的底物和/或一种或多种血管活性剂的化合物的新型组合物。本发明还提供了用于治疗或预防男性和女性性功能障碍、增强男性和女性性反应以及治疗或预防由环磷酸鸟苷3′,5′-单磷酸（cGMP）代谢增加引起的疾病的方法，例如高血压、肺动脉高压、充血性心力衰竭、肾功能衰竭、心肌梗死、稳定、不稳定和变异性（普林兹梅塔尔）心绞痛、动脉粥样硬化、心脏水肿、肾功能不全、肾病性水肿、肝性水肿、中风、哮喘、支气管炎、慢性阻塞性肺疾病（COPD）、囊性纤维化、痴呆、免疫缺陷、早产、痛经、良性前列腺增生（BPH）、膀胱出口梗阻、失禁、血管通透性降低的疾病，例如经皮冠状动脉成形术后（post-PTCA）、周围血管疾病、过敏性鼻炎、青光眼和以肠道运动障碍为特征的疾病，例如肠易激综合征（IBS）。
• Benzimidazoles for ischemic heart conditions
  申请人：Eisai Co., Ltd.

  公开号：US05693652A1

  公开（公告）日：1997-12-02

  The present invention provides a nitrogenous heterocyclic compound represented by the following general formula (1) or a pharmacologically acceptable salt thereof which is useful for various ischemic heart diseases and the like: ##STR1## \x9bin formula (1), ring A represents a benzene ring, a pyridine ring or a cyclohexane ring: ring B represents a pyridine ring, a pyrimidine ring or an imidazole ring, R.sup.1, R.sup.2, R.sup.3 R.sup.4, R.sup.5 and R.sup.6 are described herein.

  本发明提供了一种氮杂环化合物，其通式为（1），或其药学上可接受的盐，适用于各种缺血性心脏病等疾病：##STR1## 在公式（1）中，环A代表苯环，吡啶环或环己烷环；环B代表吡啶环，嘧啶环或咪唑环，R.sup.1、R.sup.2、R.sup.3、R.sup.4、R.sup.5和R.sup.6的定义如本文所述。
• Method of treating a patient having precancerous lesions with quinazoline derivatives
  申请人：——

  公开号：US20010031760A1

  公开（公告）日：2001-10-18

  Derivatives of Quinazoline are useful for the treatment of patients having precancerous lesions. These compounds are also useful to inhibit growth of neoplastic cells.

  喹唑啉的衍生物对于治疗患有癌前病变的患者非常有用。这些化合物还可以用于抑制肿瘤细胞的生长。
• Phosphodiesterase inhibitors and nitric oxide donors, compositions and methods of use
  申请人：——

  公开号：US20040087591A1

  公开（公告）日：2004-05-06

  The invention describes novel compositions containing at least one phosphodiesterase inhibitor, and at least one compound 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 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 diseases induced by the increased metabolism of cyclic guanosine 3′,5′-monophosphate (cGMP), such as hypertension, pulmonary hypertension, congestive heart failure, renal failure, myocardial infraction, stable, unstable and variant (Prinzmetal) angina, atherosclerosis, cardiac edema, renal insufficiency, nephrotic edema, hepatic edema, stroke, asthma, bronchitis, chronic obstructive pulmonary disease (COPD), cystic fibrosis, dementia, immunodeficiency, premature labor, dysmenorrhoea, benign prostatic hyperplasis (BPH), bladder outlet obstruction, incontinence, conditions of reduced blood vessel patency, e.g., postpercutaneous transluminal coronary angioplasty (post-PTCA), peripheral vascular disease, allergic rhinitis, glucoma, and diseases characterized by disorders of gut motility, e.g., irritable bowel syndrome (IBS).

  该发明描述了一种新型组合物，其中包含至少一种磷酸二酯酶抑制剂，以及至少一种捐赠、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化合物。该发明还提供了治疗或预防男性和女性性功能障碍、增强男性和女性性反应以及治疗或预防由环磷鸟苷3′，5′-单磷酸（cGMP）代谢增加引起的疾病的方法，如高血压、肺动脉高压、充血性心力衰竭、肾功能衰竭、心肌梗塞、稳定、不稳定和变异性（普林兹梅塔尔）心绞痛、动脉粥样硬化、心脏水肿、肾功能不全、肾病性水肿、肝性水肿、中风、哮喘、支气管炎、慢性阻塞性肺疾病（COPD）、囊性纤维化、痴呆、免疫缺陷、早产、痛经、良性前列腺增生（BPH）、膀胱出口梗阻、失禁、血管通畅度降低的疾病，例如经皮冠状动脉成形术后（post-PTCA）、外周血管疾病、变应性鼻炎、青光眼以及肠道运动障碍等疾病的特征性障碍。