S-40503 | 404920-28-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: S-40503
• 英文别名: 2-(4-dimethylamino-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl)-2-methylpropan-1-ol；2-(4-(Dimethylamino)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl)-2-methylpropan-1-ol；2-[4-(dimethylamino)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]-2-methylpropan-1-ol
• CAS: 404920-28-1
• 化学式: C₁₅H₂₃N₃O₃
• 分子量: 293.366
• InChiKey: YNYAUBNZRZVNLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  81.3
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-(4-amino-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl)-2-methylpropan-1-ol 在 聚合甲醛 、 碳酸氢钠 、 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 生成 S-40503
  参考文献：
  名称：

  Tetrahydroquinoline compounds

  摘要：

  一般式（I）的四氢喹啉化合物或其药理学上可接受的盐，具有特定和强烈的与AR的结合亲和力，表现出AR的激动或拮抗作用，对AR介导的疾病具有治疗作用，特别是对骨骼肌组织和骨组织具有强效作用，但不像AR激动剂那样过度作用于前列腺；以及包含该化合物或盐作为活性成分的制药组合物。

  公开号：

  US20030216428A1

文献信息

• [EN] COMPOUNDS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES<br/>[FR] COMPOSÉS ET COMPOSITIONS UTILISÉS POUR TRAITER LES MALADIES NEURODÉGÉNÉRATIVES
  申请人：ACADIA PHARM INC

  公开号：WO2014125121A1

  公开（公告）日：2014-08-21

  The present application relates to a composition comprising a selective androgen modulating compound of formula (I) and selective estrogen receptor β agonist of formula (II). The present application also relates to the use of a selective androgen modulating compound of formula (I) in combination with a selective estrogen receptor β agonist of formula (II) in the treatment or prevention of neurodegenerative diseases or disorders,such as Alzheimer's disease, Huntigton's disease, Parkinson's disease, depression, anxiety, multiple sclerosis, symptoms associated with or caused by multiple sclerosis, and acute or chronic pain.

  本申请涉及一种包含公式（I）的选择性雄激素调节化合物和公式（II）的选择性雌激素受体β激动剂的组合物。本申请还涉及将公式（I）的选择性雄激素调节化合物与公式（II）的选择性雌激素受体β激动剂结合使用，用于治疗或预防神经退行性疾病或障碍，例如阿尔茨海默病、亨廷顿病、帕金森病、抑郁症、焦虑症、多发性硬化症、与多发性硬化症相关或由其引起的症状，以及急性或慢性疼痛。
• TETRAHYDROQUINOLINE COMPOUNDS
  申请人：Kaken Pharmaceutical Co., Ltd.

  公开号：EP1325914A1

  公开（公告）日：2003-07-09

  Tetrahydroquinoline compounds of general formula (I) or pharmacologically acceptable salts thereof, which have a specific and strong binding affinity for AR, exhibit AR agonism or antagonism, have therapeutic effects on AR-mediated diseases, particularly by not acting excessively on the prostate as AR agonists, but by showing potent action on skeletal muscle tissue and bone tissue; and pharmaceutical compositions comprising the compounds or the salts as active ingredients:

  通式(I)的四氢喹啉化合物或其药理学上可接受的盐类，它们与AR具有特异性强的结合亲和力，表现出AR激动或拮抗作用，对AR介导的疾病具有治疗作用，特别是作为AR激动剂不会对前列腺产生过度作用，但对骨骼肌组织和骨组织表现出强效作用；以及包含这些化合物或盐类作为活性成分的药物组合物：
• Methods of reducing mammographic breast density and/or breast cancer risk
  申请人：Havah Therapeutics Pty Ltd.

  公开号：US10064874B2

  公开（公告）日：2018-09-04

  The present disclosure is directed to generally methods and/or compositions for treating mammographic breast density and/or breast stiffness in a patient in need thereof, such as a pre-menopausal, a peri-menopausal or a post-memopausal patient, comprising the administration of an effective amount of androgenic agent and an effective amount of an aromatase inhibitor. The present disclosure is also directed to methods and/or compositions for reducing breast pain. The present disclosure is also directed to method and/or compositions for reducing elasticity and/or decreasing mechano-transduction on the genome of breast cells. The present disclosure is also directed to methods and/or compositions for stabilizing and/or increasing the levels of androgen receptor expression in breast tissue.

  本公开总体上涉及治疗有需要的患者（如绝经前、围绝经期或绝经后患者）的乳房X线摄影乳房密度和/或乳房僵硬的方法和/或组合物，包括施用有效量的雄激素制剂和有效量的芳香化酶抑制剂。本公开还涉及减少乳房疼痛的方法和/或组合物。本公开内容还涉及降低弹性和/或降低乳腺细胞基因组机械传导的方法和/或组合物。本公开内容还涉及稳定和/或增加乳腺组织中雄激素受体表达水平的方法和/或组合物。
• Anti-tumor therapy
  申请人：The University of Chicago

  公开号：US10421971B2

  公开（公告）日：2019-09-24

  Compositions, kits and methods for treating cancer in a subject in need thereof are disclosed involving one or more genes the suppression of which renders the cancer chemosensitive and/or radiosensitive.

  本研究公开了用于治疗所需对象癌症的组合物、试剂盒和方法，这些组合物、试剂盒和方法涉及一种或多种基因，抑制这些基因可使癌症具有化疗敏感性和/或放射敏感性。
• Prognostic and predictive breast cancer signature
  申请人：The University of Chicago

  公开号：US10679730B2

  公开（公告）日：2020-06-09

  Embodiments of the invention are directed to methods of determining the prognosis of a breast cancer patient by evaluating a specified set of genes. Specifically, methods may comprise calculating a prognosis score based on a particular algorithm. Also disclosed are compositions, kits and methods for treating cancer in a subject in need thereof are disclosed involving one or more upstream activators and/or downstream effectors of TET1.

  本发明的实施方案涉及通过评估一组特定基因来确定乳腺癌患者预后的方法。具体而言，方法可包括根据特定算法计算预后评分。本发明还公开了用于治疗癌症的组合物、试剂盒和方法，这些组合物、试剂盒和方法涉及TET1的一个或多个上游激活剂和/或下游效应物。