ethyl 3-(2-oxopiperazin-1-yl)propionate hydrochloride | 916083-34-6

• 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
• 英文名称: ethyl 3-(2-oxopiperazin-1-yl)propionate hydrochloride
• 英文别名: 1-[2-(Ethoxycarbonyl)ethyl]-2-oxopiperazine hydrochloride；ethyl 3-(2-oxopiperazin-1-yl)propanoate;hydrochloride
• CAS: 916083-34-6
• 化学式: C₉H₁₆N₂O₃*ClH
• 分子量: 236.699
• InChiKey: WLKUKVPGLQXZMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.21
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propionic acid 、 ethyl 3-(2-oxopiperazin-1-yl)propionate hydrochloride 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 13.0h， 生成 Ethyl 3-(4-{3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl}-2-oxo-1-piperazinyl)propanoate
  参考文献：
  名称：

  TRICYCLIC COMPOUND

  摘要：

  本发明涉及一种三环化合物，每种化合物由以下式（I）表示：（其中，R1、R2、R2'、R3、R4、X、Y和Z的含义与规范中定义的含义相同）；以及含有该化合物的药物。由于根据本发明的化合物表现出优异的角鲨烯合酶抑制作用和胆固醇合成抑制作用，因此它们可用作哺乳动物（包括人类）的疾病预防和/或治疗药物，例如高脂血症，如高胆固醇血症、高甘油三酯血症、低高密度脂蛋白胆固醇血症和/或动脉粥样硬化。

  公开号：

  EP1939205A1

文献信息

• CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP
  申请人：Kimura Tomio

  公开号：US20090306059A1

  公开（公告）日：2009-12-10

  A compound having the general formula (I), pharmacologically acceptable salts thereof or prodrugs thereof: [wherein R 1 represents a hydrogen atom, a C1-C6 alkyl group which may be substituted, a C3-C6 cycloalkyl group which may be substituted, a C1-C6 alkoxy group which may be substituted or a C6-C10 aryl group which may be substituted; R 2 represents a hydrogen atom, a halogen atom, a carboxy group, a C2-C7 alkoxycarbonyl group, a carbamoyl group, a cyano group, a C1-C6 alkyl group, a halogeno C1-C6 alkyl group, a C1-C6 alkyl group substituted by a heteroaryl group, a C1-C6 alkoxy group, a halogeno C1-C6 alkoxy group, a hydroxy C1-C6 alkyl group, a C2-C12 alkoxyalkyl group, a formyl group, a C2-C7 alkanoyl group, a C4-C7 cycloalkylcarbonyl group, a C2-C7 alkylcarbamoyl group, a di(C1-C6 alkyl)carbamoyl group, a group of formula R 4 —CO—CR 5 R 6 —(CH 2 ) m —, a group of formula R 7 —CO—(CH 2 ) l —N(R 8 )— or a sulfamoyl C1-C6 alkyl group; R 3 represents a substituted C1-C6 alkyl group, a heterocyclyl group or a heterocyclyl group substituted with 1 to 5 substituents; X 1 , X 2 , X 3 , X 4 and X 5 each independently represents a hydrogen atom, a halogen atom, an amino group, a carboxy group, a carbamoyl group, a cyano group, a nitro group, a C1-C6 alkyl group, a halogeno C1-C6 alkyl group, a C1-C6 alkoxy group, or a halogeno C1-C6 alkoxy group; and n represents an integer of 0 to 2].

  具有通式（I）的化合物，其药学上可接受的盐或前药： [其中R1代表氢原子，可能被取代的C1-C6烷基，可能被取代的C3-C6环烷基，可能被取代的C1-C6烷氧基或可能被取代的C6-C10芳基； R2代表氢原子，卤原子，羧基，C2-C7烷氧羰基，氨基甲酰基，氰基，C1-C6烷基，卤代C1-C6烷基，被杂环芳基取代的C1-C6烷基，C1-C6烷氧基，卤代C1-C6烷氧基，羟基C1-C6烷基，C2-C12烷氧基烷基，甲酰基，C2-C7烷酰基，C4-C7环烷基羰基，C2-C7烷基氨基甲酰基，二(C1-C6烷基)氨基甲酰基，通式R4—CO—CR5R6—(CH2)m—的基团，通式R7—CO—( )l—N(R8)—或磺胺基C1-C6烷基； R3代表取代的C1-C6烷基，杂环烷基或带有1至5个取代基的取代的杂环烷基； X1、X2、X3、X4和X5分别独立地代表氢原子，卤原子，氨基，羧基，氨基甲酰基，氰基，硝基，C1-C6烷基，卤代C1-C6烷基，C1-C6烷氧基或卤代C1-C6烷氧基；以及 n代表0至2的整数。
• TRICYCLIC COMPOUNDS
  申请人：Sugita Kazuyuki

  公开号：US20090181942A1

  公开（公告）日：2009-07-16

  The present invention relates to tricyclic compounds each represented by the following formula (I): (wherein, R 1 , R 2 , R 2′ , R 3 , R 4 , X, Y and Z have the same meanings as defined in the specification); and a drug containing the compound. Since the compounds according to the present invention exhibit an excellent squalene synthetase inhibitory effect and cholesterol synthesis inhibitory effect so that they are useful as a drug such as preventive and/or remedy for diseases in mammals including humans such as hyperlipemia, e.g., hypercholesterolemia, hypertriglyceridemia, and low HDL cholesterolemia and/or arteriosclerosis.

  本发明涉及由以下公式（I）表示的三环化合物（其中，R1，R2，R2'，R3，R4，X，Y和Z的含义如说明书所定义）；以及含有该化合物的药物。由于本发明的化合物表现出优异的角鲨烷合酶抑制作用和胆固醇合成抑制作用，因此它们可用作哺乳动物（包括人类）疾病的预防和/或治疗药物，例如高脂血症、例如高胆固醇血症、高三酰甘油血症和低高密度脂蛋白胆固醇血症和/或动脉硬化。
• Biomarkers for cardiovascular diseases and methods using the same
  申请人：Metabolon, Inc.

  公开号：US10175233B2

  公开（公告）日：2019-01-08

  Biomarkers relating to cardiovascular disease, including atherosclerosis and cardiomyopathy, are provided, as well as methods for using such biomarkers as biomarkers for cardiovascular disease. In addition, methods for modulating the respective disorders or conditions of a subject are also provided. Also provided are suites of small molecule entities as biomarkers for cardiovascular disease, including atherosclerosis and cardiomyopathy.

  本研究提供了与心血管疾病（包括动脉粥样硬化和心肌病）有关的生物标志物，以及将此类生物标志物用作心血管疾病生物标志物的方法。此外，还提供了调节受试者相应疾病或状况的方法。还提供了作为心血管疾病（包括动脉粥样硬化和心肌病）生物标志物的成套小分子实体。
• Biomarkers for pre-diabetes, cardiovascular diseases, and other metabolic-syndrome related disorders and methods using the same
  申请人：Hu Yun Fu

  公开号：US20090155826A1

  公开（公告）日：2009-06-18

  Biomarkers relating to insulin resistance, pre-diabetes, type-2 diabetes, metabolic syndrome, atherosclerosis, and cardiomyopathy are provided, as well as methods for using such biomarkers as biomarkers for insulin resistance, pre-diabetes, type-2 diabetes, metabolic syndrome, atherosclerosis, and cardiomyopathy. In addition, methods for modulating the respective disorders or conditions of a subject are also provided. Also provided are suites of small molecule entities as biomarkers for insulin resistance, pre-diabetes, type-2 diabetes, metabolic syndrome, atherosclerosis, and cardiomyopathy.
• Biomarkers for Pre-Diabetes, Cardiovascular Diseases, and Other Metabolic-Syndrome Related Disorders and Methods Using the Same
  申请人：HU Yun Fu

  公开号：US20120208215A1

  公开（公告）日：2012-08-16

  Biomarkers relating to insulin resistance, pre-diabetes, type-2 diabetes, metabolic syndrome, atherosclerosis, and cardiomyopathy are provided, as well as methods for using such biomarkers as biomarkers for insulin resistance, pre-diabetes, type-2 diabetes, metabolic syndrome, atherosclerosis, and cardiomyopathy. In addition, methods for modulating the respective disorders or conditions of a subject are also provided. Also provided are suites of small molecule entities as biomarkers for insulin resistance, pre-diabetes, type-2 diabetes, metabolic syndrome, atherosclerosis, and cardiomyopathy.