methyl (2E)-2-(dimethoxymethyl)-3-(sodiooxy)prop-2-enoate | 1199806-23-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 乙烯基酸
• 英文名称: methyl (2E)-2-(dimethoxymethyl)-3-(sodiooxy)prop-2-enoate
• 英文别名: Methyl-2-[bis(methyloxy)methyl]-3-hydroxy-2-propenoate sodium salt；methyl (2E)-2-(dimethoxymethyl)-3-(hydroxy)-acrylate sodium salt；Sodium (e)-2-(dimethoxymethyl)-3-methoxy-3-oxoprop-1-en-1-olate；sodium;(E)-2-(dimethoxymethyl)-3-methoxy-3-oxoprop-1-en-1-olate
• CAS: 1199806-23-9
• 化学式: C₇H₁₁O₅*Na
• 分子量: 198.151
• InChiKey: XCZUGFTZFZMPFD-MKWAYWHRSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.97
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  67.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl (2E)-2-(dimethoxymethyl)-3-(sodiooxy)prop-2-enoate 在 水 、 lithium hydroxide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 2-[3-(benzyloxy)cyclobutyl]pyrimidine-5-carboxylic acid
  参考文献：
  名称：

  [EN] UREA DERIVATIVES WHICH CAN BE USED TO TREAT CANCER
  [FR] DÉRIVÉS D'URÉE POUVANT ÊTRE UTILISÉS POUR TRAITER LE CANCER

  摘要：

  This disclosure provides compounds of Formula (I), Formula (II), and pharmaceutically acceptable salts thereof, that inhibit phosphatidylinositol 4,5-bisphosphate 3-kinase (PI3K) isoform alpha (PI3Ka). These chemical entities are useful, e.g., for treating a condition, disease or disorder in which increased (e.g., excessive) PI3Ka activation contributes to the pathology and/or symptoms and/or progression of the condition, disease or disorder (e.g., cancer) in a subject (e.g., a human). This disclosure also provides compositions containing the same as well as methods of using and making the same.

  公开号：

  WO2022265993A1
• 作为产物：
  描述：

  3，3-二甲氧基丙酸甲酯 、 甲酸乙酯 在 sodium hydride 作用下， 以 乙二醇二甲醚 、 mineral oil 为溶剂， 以56.83 %的产率得到methyl (2E)-2-(dimethoxymethyl)-3-(sodiooxy)prop-2-enoate
  参考文献：
  名称：

  [EN] UREA DERIVATIVES WHICH CAN BE USED TO TREAT CANCER
  [FR] DÉRIVÉS D'URÉE POUVANT ÊTRE UTILISÉS POUR TRAITER LE CANCER

  摘要：

  This disclosure provides compounds of Formula (I), Formula (II), and pharmaceutically acceptable salts thereof, that inhibit phosphatidylinositol 4,5-bisphosphate 3-kinase (PI3K) isoform alpha (PI3Ka). These chemical entities are useful, e.g., for treating a condition, disease or disorder in which increased (e.g., excessive) PI3Ka activation contributes to the pathology and/or symptoms and/or progression of the condition, disease or disorder (e.g., cancer) in a subject (e.g., a human). This disclosure also provides compositions containing the same as well as methods of using and making the same.

  公开号：

  WO2022265993A1

文献信息

• [EN] PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH<br/>[FR] DÉRIVÉS DE PYRAZOLE UTILES COMME INHIBITEURS DE FAAH
  申请人：MERCK & CO INC

  公开号：WO2009151991A1

  公开（公告）日：2009-12-17

  The present invention is directed to certain imidazole derivatives which are useful as inhibitors of Fatty Acid Amide Hydrolase (FAAH). The invention is also concerned with pharmaceutical formulations comprising these compounds as active ingredients and the use of the compounds and their formulations in the treatment of certain disorders, including osteoarthritis, rheumatoid arthritis, diabetic neuropathy, postherpetic neuralgia, skeletomuscular pain, and fibromyalgia, as well as acute pain, migraine, sleep disorder, Alzheimer disease, and Parkinson's disease

  本发明涉及某些咪唑衍生物，其可用作脂肪酰胺水解酶（FAAH）的抑制剂。该发明还涉及包含这些化合物作为活性成分的药物配方，以及这些化合物及其配方在治疗某些疾病中的使用，包括骨关节炎、类风湿性关节炎、糖尿病神经病变、带状疱疹后神经痛、骨骼肌肉疼痛和纤维肌痛，以及急性疼痛、偏头痛、睡眠障碍、阿尔茨海默病和帕金森病。
• CXCR2 INHIBITORS
  申请人：HACHTEL Stephanie

  公开号：US20080090854A1

  公开（公告）日：2008-04-17

  The invention relates to compounds of the formula I: in which R1, R2, X, A, B, D and Y1 to Y4 have the meanings indicated in the claims, and/or a pharmaceutically acceptable salt and/or a prodrug thereof. Because of their properties as inhibitors of chemokine receptors, especially as CXCR2 inhibitors, the compounds of the formula I and the pharmaceutically acceptable salts and prodrugs thereof are suitable for the prevention and treatment of chemokine mediated diseases.

  该发明涉及公式I的化合物： 其中R1、R2、X、A、B、D和Y1至Y4具有声明中指示的含义，和/或其药学上可接受的盐和/或前药。由于它们作为趋化因子受体抑制剂的特性，特别是作为CXCR2抑制剂，公式I的化合物及其药学上可接受的盐和前药适用于预防和治疗趋化因子介导的疾病。
• FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION
  申请人：Sanofi-Aventis Deutschland GmbH

  公开号：EP1836158A1

  公开（公告）日：2007-09-26
• US7919628B2
  申请人：——

  公开号：US7919628B2

  公开（公告）日：2011-04-05
• US8283479B2
  申请人：——

  公开号：US8283479B2

  公开（公告）日：2012-10-09