3-氧代-3-(四氢吡喃-4-基)丙酸甲酯 | 75338-17-9

• 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
• 中文名称: 3-氧代-3-(四氢吡喃-4-基)丙酸甲酯
• 英文名称: 3-oxo-3-(tetrahydropyran-4-yl)propionic acid methyl ester
• 英文别名: methyl 3-oxo-3-(tetrahydro-2H-pyran-4-yl)propanoate；methyl 3-(oxan-4-yl)-3-oxopropanoate；3-(4-tetrahydropyranyl)-3-oxopropanoic acid methyl ester；methyl 3-(4-tetrahydropyranyl)-3-oxopropanoate；Methyl 3-oxo-3-(oxan-4-yl)propanoate
• CAS: 75338-17-9
• 化学式: C₉H₁₄O₄
• 分子量: 186.208
• InChiKey: DJMDVBNUOMSULY-UHFFFAOYSA-N

物化性质

• 沸点：
  271.2±30.0 °C(Predicted)
• 密度：
  1.126±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-氧代-3-(四氢吡喃-4-基)丙酸甲酯 在 磺酰氯 作用下， 以 甲苯 为溶剂， 反应 19.0h， 生成 2-chloro-3-(4-tetrahydropyranyl)-3-oxopropanoic acid methyl ester
  参考文献：
  名称：

  [EN] 2-SUBSTITUTED-3-(4-TETRAHYDROPYRANYL)-3-OXOPROPANOIC ESTER AND PROCESS FOR PRODUCING THE SAME
  [FR] ESTER DE 2-SUBSTITUÉ-3-(4-TÉTRAHYDROPYRANYLE)-3-OXOPEOPANOÏQUE ET PROCÉDÉ POUR LE PRODUIRE

  摘要：

  这项发明提供了一种由通式（1）表示的2-取代-3-(4-四氢吡喃基)-3-氧代丙酸酯，其中Y代表卤素原子或酰氧基团，R代表烃基，以及其制备方法。

  公开号：

  WO2006013920A1
• 作为产物：
  描述：

  四氢吡喃-4-羧酸甲酯 在 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 7.0h， 生成 3-氧代-3-(四氢吡喃-4-基)丙酸甲酯
  参考文献：
  名称：

  Structure-Based Design of Novel Class II c-Met Inhibitors: 2. SAR and Kinase Selectivity Profiles of the Pyrazolone Series

  摘要：

  As part of our effort toward developing an effective therapeutic agent for c-Met-dependent tumors, a pyrazolone-based class II c-Met inhibitor, N-(4-((6,7-dimethoxyquinolin-4-yl)oxy)-3-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide (1), was identified. Knowledge of the binding mode of this molecule in both c-Met and VEGFR-2 proteins led to a novel strategy for designing more selective analogues of 1. Along with detailed SAR information, we demonstrate that the low kinase selectivity associated with class II c-Met inhibitors can be improved significantly. This work resulted in the discovery of potent c-Met inhibitors with improved selectivity profiles over VEGFR-2 and IGF-1R that could serve as useful tools to probe the relationship between kinase selectivity and in vivo efficacy in tumor xenograft models. Compound 59e (AMG 458) was ultimately advanced into preclinical safety studies.

  DOI：

  10.1021/jm201331s

文献信息

• [EN] PREPARATION AND USES OF PYRIMIDINONE DERIVATIVES<br/>[FR] PRÉPARATION ET UTILISATIONS DE DÉRIVÉS DE PYRIMIDINONE
  申请人：CANCER RESEARCH TECH LTD

  公开号：WO2018055402A1

  公开（公告）日：2018-03-29

  The present invention relates to compounds of formula (I), and salts and solvates thereof, that function as inhibitors of cell division cycle 7 (Cdc7) kinase enzyme activity: (Formula (I)) wherein X, R1, R2, and n are each as defined herein. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of proliferative disorders, such as cancer, as well as other diseases or conditions in which Cdc7 kinase activity is implicated.

  本发明涉及式(I)的化合物，以及其盐和溶剂合物，其作为细胞分裂周期7（Cdc7）激酶酶活性的抑制剂：（式(I)）其中X，R1，R2和n如本文所定义。本发明还涉及制备这些化合物的方法，包括它们的药物组合物，以及它们在治疗增殖性疾病（如癌症）以及其他涉及Cdc7激酶活性的疾病或病况中的用途。
• [EN] HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS<br/>[FR] DÉRIVÉS HÉTÉROAROMATIQUES EN TANT QU'INHIBITEURS DE NIK
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2018002217A1

  公开（公告）日：2018-01-04

  The present invention relates to pharmaceutical agents useful for therapy and/or prophylaxis in a mammal, and in particular to inhibitors of NF-κB-inducing kinase (NIK - also known as MAP3K14) useful for treating diseases such as cancer, inflammatory disorders, metabolic disorders and autoimmune disorders. The invention is also directed to pharmaceutical compositions comprising such compounds, and to the use of such compounds or pharmaceutical compositions for the prevention or treatment of diseases such as cancer, inflammatory disorders, metabolic disorders including obesity and diabetes, and autoimmune disorders.

  本发明涉及对哺乳动物疗法和/或预防有用的药物，特别是对NF-κB诱导激酶（NIK - 也称为MAP3K14）的抑制剂，用于治疗癌症、炎症性疾病、代谢性疾病和自身免疫性疾病。该发明还涉及包含这些化合物的药物组合物，以及利用这些化合物或药物组合物预防或治疗癌症、炎症性疾病、包括肥胖和糖尿病在内的代谢性疾病以及自身免疫性疾病。
• [EN] AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS<br/>[FR] COMPOSÉS ARYLE OU HÉTÉROARYLE À SUBSTITUTION AMINE UTILISÉS COMME INHIBITEURS DE EHMT1 ET EHMT2
  申请人：EPIZYME INC

  公开号：WO2017181177A1

  公开（公告）日：2017-10-19

  The present disclosure relates to amine-substituted aryl or heteroaryl compounds. The present disclosure also relates to pharmaceutical compositions containing these compounds and methods of treating a disorder (e.g., sickle cell anemia) via inhibition of a methyltransferase enzyme selected from EHMT1 and EHMT2, by administering an amine-substituted aryl or heteroaryl compound disclosed herein or a pharmaceutical composition thereof to subjects in need thereof. The present disclosure also relates to the use of such compounds for research or other non-therapeutic purposes.

  本公开涉及氨基取代的芳基或杂芳基化合物。本公开还涉及包含这些化合物的药物组合物，以及通过向需要治疗的受试者施用本公开的氨基取代的芳基或杂芳基化合物或其药物组合物，来治疗疾病（例如，镰状细胞性贫血）的方法，该方法通过抑制从EHMT1和EHMT2选择的甲基转移酶酶。本公开还涉及将此类化合物用于研究或其他非治疗目的。
• [EN] HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS<br/>[FR] DÉRIVÉS HÉTÉROARYLDIHYDROPYRIMIDINE ET MÉTHODES DE TRAITEMENT D'INFECTIONS PAR LE VIRUS DE L'HÉPATITE B
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2019001420A1

  公开（公告）日：2019-01-03

  Provided herein are compounds useful for the treatment of HBV infection in a subject in need thereof, pharmaceutical compositions thereof, and methods of inhibiting, suppressing, or preventing HBV infection in the subject.

  本文提供了一些用于治疗HBV感染的化合物，以及其药物组合物和抑制、抑制或预防受试者HBV感染的方法。
• Processes for preparing alkyl 3-(4-tetrahydropyranyl)-3-oxopropanoate compound and 4-acyltetrahydropyrane
  申请人：Nishino Shigeyoshi

  公开号：US20070043107A1

  公开（公告）日：2007-02-22

  The present invention is to provide a process for preparing an alkyl 3-(4-tetrahydropyranyl)-3-oxopropanoate compound represented by the formula (1): wherein R 1 and R 2 may be the same or different from each other, and represent a group which does not participate in the reaction, and R 1 and R 2 may be bonded to form a ring, and the ring may contain a hetero atom(s), and R 3 represents a hydrocarbon group, which comprises reacting 4-acyltetrahydropyran represented by the formula (2): wherein R 1 and R 2 have the same meanings as defined above, and a carbonic acid diester represented by the formula (3): wherein R 3 has the same meanings as defined above, and two R 3 s may be bonded to each other to form a ring, in the presence of a base, and a process for preparing 4-acyltetrahydropyran.

  本发明提供一种制备由式（1）表示的烷基3-(4-四氢呋喃基)-3-氧代丙酸酯化合物的方法：其中R1和R2可以相同也可以不同，表示不参与反应的基团，且R1和R2可以结合形成环，环中可能含有杂原子；R3表示烃基团。该方法包括在碱的存在下，反应式（2）所表示的4-酰基四氢呋喃和式（3）所表示的碳酸二酯，式（3）中R3具有与上述定义相同的含义，且两个R3可以结合形成环。同时，本发明还提供一种制备4-酰基四氢呋喃的方法。