ethyl 2,4-diketobutyrate | 133510-30-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: ethyl 2,4-diketobutyrate
• 英文别名: Ethyl 2,4-dioxobutanoate
• CAS: 133510-30-2
• 化学式: C₆H₈O₄
• 分子量: 144.127
• InChiKey: ZDIFEPHUUQALKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 2,4-diketobutyrate 在 盐酸肼 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 1.0h， 生成 3-吡唑甲酸乙酯
  参考文献：
  名称：

  Fluorinated pyrazole acids are agonists of the high affinity niacin receptor GPR109a

  摘要：

  A series of 5-alkyl pyrazole-3-carboxylic acids were prepared and found to act as potent and selective agonists of the human GPCR, GPR109a, the high affinity nicotinic acid receptor. No activity was observed at the highly homologous low affinity niacin receptor, GPR109b. A further series of 4-fluoro-5-alkyl pyrazole-3-carboxylic acids were shown to display similar potency. One example from the series was shown to have improved properties in vivo compared to niacin. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.07.101
• 作为产物：
  描述：

  乙醛 、 草酸二乙酯 在 potassium tert-butylate 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 0.5h， 生成 ethyl 2,4-diketobutyrate
  参考文献：
  名称：

  Fluorinated pyrazole acids are agonists of the high affinity niacin receptor GPR109a

  摘要：

  A series of 5-alkyl pyrazole-3-carboxylic acids were prepared and found to act as potent and selective agonists of the human GPCR, GPR109a, the high affinity nicotinic acid receptor. No activity was observed at the highly homologous low affinity niacin receptor, GPR109b. A further series of 4-fluoro-5-alkyl pyrazole-3-carboxylic acids were shown to display similar potency. One example from the series was shown to have improved properties in vivo compared to niacin. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.07.101

文献信息

• [EN] RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS<br/>[FR] COMPOSÉS DE PYRAZOLO- ET TRIAZOLO-PYRIMIDINE ANTIVIRAUX DU VIRUS RESPIRATOIRE SYNCYTIAL (VRS)
  申请人：JANSSEN SCIENCES IRELAND UC

  公开号：WO2016174079A1

  公开（公告）日：2016-11-03

  The invention concerns novel substituted pyrazolo- and triazolo-pyrimidine compounds of formula (I) having antiviral activity, in particular, having an inhibitory activity on the replication of the respiratory syncytial virus (RSV). The invention further concerns pharmaceutical compositions comprising these compounds and the compounds for use in the treatment of respiratory syncytial virus infection.

  这项发明涉及具有抗病毒活性的新型取代吡唑并三唑基嘧啶化合物，其化学式为(I)，特别是对呼吸道合胞病毒（RSV）复制具有抑制活性。该发明还涉及包含这些化合物的药物组合物，以及用于治疗呼吸道合胞病毒感染的化合物。
• Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same
  申请人：Borchardt Allen

  公开号：US20050176701A1

  公开（公告）日：2005-08-11

  The invention relates to compounds of the formula 1 and to pharmaceutically acceptable salts, solvates, prodrugs and metabolites thereof, wherein W, Z, R 1 and R 2 , are as defined herein. The invention also relates to methods of treating Hepatitis C virus in mammals by administering the compounds of formula 1, and to pharmaceutical compositions for treating such disorders, which contain the compounds of formula 1. The invention also relates to methods of preparing the compounds of formula 1.

  这项发明涉及公式1的化合物，以及其药学上可接受的盐、溶剂化合物、前药和代谢物，其中W、Z、R1和R2如本文所定义。该发明还涉及通过给哺乳动物施用公式1的化合物来治疗丙型肝炎病毒的方法，以及用于治疗这类疾病的含有公式1化合物的药物组合物。该发明还涉及制备公式1化合物的方法。
• AGENT FOR CONTROLLING NOXIOUS ARTHROPODS
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20180168159A1

  公开（公告）日：2018-06-21

  An agent for controlling noxious arthropods has an exceptional noxious arthropod controlling effect, said agent containing an amide compound represented by Formula (I) and an inactive carrier. In formula (I), R 2 represents a C1-C3 chain hydrocarbon group, etc., R 5 and R 6 represent a hydrogen atom, etc., R 9 represents a C1-C4 alkyl group, etc., R 10 represents a C1-C4 alkyl group or hydrogen atom, etc., R 11 and R 12 each independently represent a C1-C4 alkyl group, etc., and Y represents a single bond, an oxygen atom, or S(O) u ; when Y is a single bond, m represents 0, and Q represents a C1-C8 chain hydrocarbon group, etc.; and when Y is an oxygen atom or S(O) u , m represents any integer of 0 to 7, Q represents a C1-C8 chain hydrocarbon group, etc., a and b represent 0, 1, 2, or 3 (the sum of a and b representing any integer of 1 to 6), and u represents 0, 1, or 2.

  一种用于控制有害节肢动物的剂具有出色的有害节肢动物控制效果，所述剂包含由式（I）表示的酰胺化合物和一种无活性载体。在式（I）中，R2代表一个C1-C3链烃基，等等，R5和R6代表一个氢原子，等等，R9代表一个C1-C4烷基，等等，R10代表一个C1-C4烷基或氢原子，等等，R11和R12各自独立地代表一个C1-C4烷基，等等，Y代表一个单键，一个氧原子或S(O)u；当Y是一个单键时，m表示0，Q表示一个C1-C8链烃基，等等；当Y是一个氧原子或S(O)u时，m表示0到7的任意整数，Q表示一个C1-C8链烃基，等等，a和b表示0、1、2或3（a和b的总和表示1到6的任意整数），u表示0、1或2。
• Novel phenyl derivatives as inducers of apoptosis
  申请人：Cai Xiong Sui

  公开号：US20050026929A1

  公开（公告）日：2005-02-03

  The present invention related to certain phenyl derivatives that are activators of caspases and inducers of apoptosis, pharmaceutical composition comprising these compounds and method of treating cancer utilizing these compounds.

  本发明涉及某些苯基衍生物，它们是caspases的激活剂和凋亡诱导剂，包括这些化合物的制药组合物以及利用这些化合物治疗癌症的方法。
• INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME
  申请人：Borchardt Allen

  公开号：US20060189681A1

  公开（公告）日：2006-08-24

  The invention relates to compounds of the formula 1 and to pharmaceutically acceptable salts, solvates, prodrugs and metabolites thereof, wherein W, Z, R 1 and R 2 , are as defined herein. The invention also relates to methods of treating Hepatitis C virus in mammals by administering the compounds of formula 1, and to pharmaceutical compositions for treating such disorders, which contain the compounds of formula 1. The invention also relates to methods of preparing the compounds of formula 1.

  本发明涉及式1的化合物以及其药学上可接受的盐、溶剂合物、前药和代谢物，其中W、Z、R1和R2如本文所定义。本发明还涉及通过给哺乳动物投予式1的化合物来治疗丙型肝炎病毒的方法，以及包含式1的化合物的用于治疗此类疾病的制药组合物。本发明还涉及制备式1的化合物的方法。