2-Amino-4-(4-methoxyphenyl)-3,4-dihydroquinazoline Hydrochloride | 336608-39-0

• 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: 2-Amino-4-(4-methoxyphenyl)-3,4-dihydroquinazoline Hydrochloride
• 英文别名: 4-(4-Methoxyphenyl)-1,4-dihydroquinazolin-2-amine;hydrochloride
• CAS: 336608-39-0
• 化学式: C₁₅H₁₅N₃O*ClH
• 分子量: 289.765
• InChiKey: FJTWNDHPJHKMIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.76
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  59.6
• 氢给体数：
  3
• 氢受体数：
  2

文献信息

• [EN] TETRACYCLINE ANALOGS<br/>[FR] ANALOGUES DE TÉTRACYCLINE
  申请人：TETRAPHASE PHARMACEUTICALS INC

  公开号：WO2012021712A1

  公开（公告）日：2012-02-16

  The present invention is directed to a compound represented by Structural Formula (I), or a pharmaceutically acceptable salt thereof. The variables for Structural Formula (I) are defined herein. Also described is a pharmaceutical composition comprising the compound of Structural Formula (I) and its therapeutic use.

  本发明涉及一种由结构式(I)表示的化合物，或其药用可接受的盐。结构式(I)的变量在此定义。还描述了一种包括结构式(I)化合物及其治疗用途的药物组合物。
• [EN] NOVEL ARYL-CYANOGUANIDINE COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS D'ARYL-CYANOGUANIDINE
  申请人：BAYER PHARMA AG

  公开号：WO2016091845A1

  公开（公告）日：2016-06-16

  The present invention relates to protein-lysine N-methyltransferase SMYD2 (SET and MYND domain-containing protein 2) inhibitors, in particular SMYD2-inhibitory substituted cyanoguanidine-pyrazolines of general formula (I) wherein R1, R2, R3, R4, R5, X and r have the meaning as described and defined herein, as well as to pharmaceutical compositions comprising compounds according to the invention and to their prophylactic and therapeutic use for hyperproliferative disorders, in particular for cancer, respectively tumour disorders. The present invention furthermore relates to the use of SMYD2 inhibitors for benign hyperplasias, atherosclerotic disorders, sepsis, autoimmune disorders, vascular disorders, viral infections, neurodegenerative disorders, inflammatory disorders, atherosclerotic disorders and the control of male fertility.

  本发明涉及蛋白赖氨酸N-甲基转移酶SMYD2（SET和MYND结构域含蛋白2）抑制剂，特别是通式（I）所示的SMYD2抑制剂取代的氰胍基吡唑啉化合物，其中R1、R2、R3、R4、R5、X和r具有如下所述和定义的含义，以及包含根据本发明的化合物的药物组合物，以及它们在高增殖性疾病，特别是癌症，以及肿瘤疾病的预防和治疗中的应用。本发明还涉及将SMYD2抑制剂用于良性增生、动脉粥样硬化疾病、败血症、自身免疫性疾病、血管疾病、病毒感染、神经退行性疾病、炎症性疾病、动脉粥样硬化疾病和男性生育能力的控制。
• TETRACYCLINE COMPOUNDS
  申请人：Tetraphase Pharmaceuticals, Inc.

  公开号：EP3461809A1

  公开（公告）日：2019-04-03

  The present invention is directed to a compound represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof. The variables for Structural Formula (I) are defined herein. Also described is a pharmaceutical composition comprising the compound of Structural Formula (I), or a pharmaceutically acceptable salt thereof, and its therapeutic use.

  本发明涉及一种由结构式（I）表示的化合物： 或其药学上可接受的盐。结构式（I）的变量在此定义。还描述了一种包含结构式（I）化合物或其药学上可接受的盐的药物组合物及其治疗用途。
• Aryl-cyanoguanidine compounds
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：US10023539B2

  公开（公告）日：2018-07-17

  The present invention relates to protein-lysine N-methyltransferase SMYD2 (SET and MYND domain-containing protein 2) inhibitors, in particular SMYD2-inhibitory substituted cyanoguanidine-pyrazolines of general formula (I) wherein R1, R2, R3, R4, R5, X and r have the meaning as described and defined herein, as well as to pharmaceutical compositions comprising compounds according to the invention and to their prophylactic and therapeutic use for hyper-proliferative disorders, in particular for cancer, respectively tumor disorders. The present invention furthermore relates to the use of SMYD2 inhibitors for benign hyperplasias, atherosclerotic disorders, sepsis, autoimmune disorders, vascular disorders, viral infections, neurodegenerative disorders, inflammatory disorders, atherosclerotic disorders and the control of male fertility.

  本发明涉及蛋白-赖氨酸N-甲基转移酶SMYD2（含SET和MYND结构域的蛋白2）抑制剂，特别是通式（I）的SMYD2-抑制性取代氰胍-吡唑啉类，其中R1、R2、R3、R4、R5、X和r具有本文所述和定义的含义；本发明还涉及包含根据本发明的化合物的药物组合物，以及它们对过度增殖性疾病，特别是癌症、肿瘤疾病的预防和治疗用途。本发明还涉及 SMYD2 抑制剂在良性增生性疾病、动脉粥样硬化性疾病、败血症、自身免疫性疾病、血管疾病、病毒感染、神经退行性疾病、炎症性疾病、动脉粥样硬化性疾病和控制男性生育能力方面的用途。
• Urea derivative and use therefor
  申请人：Toray Industries, Inc.

  公开号：US10280145B2

  公开（公告）日：2019-05-07

  A compound has inhibitory activity on Discoidin Domain Receptor 1. A urea derivative is represented by the formula (I) or a pharmaceutically acceptable salt thereof: wherein, R1 is trifluoromethyl, trifluoromethoxy, or pentafluorosulfanyl; each R2 is independently a hydrogen atom or methyl which is optionally substituted by one hydroxyl or one saturated heterocyclyl having four to six ring-forming atoms; R3 is a hydrogen atom, halogen atom, C1-C3 alkyl, saturated heterocyclyl having four to six ring-forming atoms and optionally having an oxo group, or R5O—; and R4 is phenyl, pyridyl, pyridazinyl, or pyrimidinyl, which phenyl, pyridyl, pyridazinyl, or pyrimidinyl is optionally substituted by one R6.

  一种化合物对 Discoidin Domain Receptor 1 具有抑制活性。脲衍生物由式（I）或其药学上可接受的盐表示： 其中，R1 是三氟甲基、三氟甲氧基或五氟硫酰基；每个 R2 独立地是氢原子或甲基，可选择被一个羟基或一个具有四至六个成环原子的饱和杂环基取代；R3 是氢原子、卤素原子、C1-C3 烷基、具有四至六个成环原子且可选具有一个氧代基团的饱和杂环基，或 R5O-；以及 R4 是苯基、吡啶基、哒嗪基或嘧啶基，其中苯基、吡啶基、哒嗪基或嘧啶基可选被一个 R6 取代。