3-氧代-3-(4-吡啶基)丙酸 | 4968-94-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-氧代-3-(4-吡啶基)丙酸
• 英文名称: 3-Oxo-3-(4-pyridyl)propionsaeure
• 英文别名: 3-oxo-3-pyridin-4-yl-propionic acid；3-oxo-3-(pyrid-4-yl)propionate；3-Oxo-3-(pyridin-4-YL)propanoic acid；3-oxo-3-pyridin-4-ylpropanoic acid
• CAS: 4968-94-9
• 化学式: C₈H₇NO₃
• 分子量: 165.148
• InChiKey: XGBWQOBKCNZNFE-UHFFFAOYSA-N

物化性质

• 沸点：
  391.8±22.0 °C(Predicted)
• 密度：
  1.317±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  67.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-氧代-3-(4-吡啶基)丙酸 在 苯甲醚 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 作用下， 反应 2.0h， 生成 (6R)-3-acetoxymethyl-8-oxo-7t-(3-oxo-3-pyridin-4-yl-propionylamino)-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  参考文献：
  名称：

  New cephalosporins with 7-acyl groups derived from .BETA.-ketoacids. I. 7-(.BETA.-Ketoacylamino)cephalosporins.

  摘要：

  本文介绍了一系列在 3 位上带有乙酰氧甲基或杂环硫甲基的 7-(β-酮酰氨基)头孢菌素 (1) 的合成和抗菌谱。在该系列中，3-[[(1-甲基-1H-四唑-5-基)硫]甲基]-7-(3-氧代丁酰基氨基)头孢-3-em-4-羧酸（11）在体外和体内试验中显示出中等抗菌活性。

  DOI：

  10.7164/antibiotics.31.1245

文献信息

• Glutamate receptor antagonists
  申请人：Hoffmann-la Roche Inc.

  公开号：US06407094B1

  公开（公告）日：2002-06-18

  The present invention relates to compounds of with a base structure of formula 1 The compounds of formula I are shown to have activity as metabotropic glutamate receptor antagonists.

  这项发明涉及具有公式1的基本结构的化合物。 公式I的化合物被证明具有作为代谢型谷氨酸受体拮抗剂的活性。
• 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES
  申请人：Thuring Johannes Wilhelmus John F.

  公开号：US20110269748A1

  公开（公告）日：2011-11-03

  This invention concerns the use of a compound of formula (I) a N-oxide, a pharmaceutically acceptable addition salt, a quaternary amine and a stereochemically isomeric form thereof, wherein Z is hydrogen, halo, C 1-6 alkyl, Het 1 , HO—C 1-6 alkyl-, cyano-C 1-6 alkyl-, amino-C(═O)—C 1-6 alkyl-, formylamino-C 1-6 alkyl-, C 1-6 alkyl-C(═O)—NH—C 1-6 alkyl-, mono- or di(C 1-6 alkyl)amino-C(═O)—C 1-6 alkyl-, phenyl-C 1-6 alkyl-, or Het 4 -C 1-6 alkyl-; Q is phenyl, pyridyl, benzofuranyl, 2,3-dihydro-benzofuranyl, pyrazolyl, isoxazolyl or indazolyl wherein each of said ring systems is optionally being substituted with up to three substituents each independently selected from halo, cyano, C 1-6 alkyl, C 1-6 alkyl-O—, C 1-6 alkylthio, Ar or polyhaloC 1-6 alkyl; L is phenyl, pyridyl, pyrimidazolyl, 8-Azapyrimidazolyl, pyridazinyl, imidazothiazolyl or furanyl wherein each of said ring systems may optionally be substituted with one or two or more substituents, each substituent independently being selected from halo, hydroxy, amino, cyano, C 1-6 alkyl or C 1-6 alkyl-O—; Het 1 represents morpholinyl; pyrazolyl or imidazolyl; Het 4 represents morpholinyl, pyrazolyl or imidazolyl; Ar represents phenyl optionally substituted with halo, C 1-6 alkyl, C 1-6 alkyl-O— or polyhaloC 1-6 alkyl; for the manufacture of a medicament for the prevention or the treatment or prophylaxis of psychotic disorders, intellectual impairment disorders or diseases or conditions in which modulation of the α7 nicotinic receptor is beneficial.

  这项发明涉及使用式(I)中的化合物，其中N-氧化物是药用可接受的加合盐，季铵基和其立体化异构形式，其中Z为氢、卤素、C1-6烷基、Het1、HO—C1-6烷基、氰基-C1-6烷基、氨基-C(═O)—C1-6烷基、甲酰氨基-C1-6烷基、C1-6烷基-C(═O)—NH—C1-6烷基、单烷基或二烷基胺基-C(═O)—C1-6烷基、苯基-C1-6烷基或Het4-C1-6烷基；Q为苯基、吡啶基、苯并呋喃基、2,3-二氢苯并呋喃基、吡唑基、异噁唑基或吲唑基，其中每个环系统可选地被取代，每个取代基可独立地选择自卤素、氰基、C1-6烷基、C1-6烷基-O—、C1-6烷基硫醚、Ar或多卤代C1-6烷基；L为苯基、吡啶基、嘧啶嗪基、8-吡啉嗪基、吡啶嗪基、咪唑噻唑基或呋喃基，其中每个环系统可选地被取代，每个取代基可独立地选择自卤素、羟基、氨基、氰基、C1-6烷基或C1-6烷基-O—；Het1代表吗啉基；吡唑基或咪唑基；Het4代表吗啉基、吡唑基或咪唑基；Ar代表苯基，可选地被卤素、C1-6烷基、C1-6烷基-O—或多卤代C1-6烷基取代；用于制备一种用于预防或治疗或预防精神障碍、智力障碍或调节α7尼古丁受体有益的疾病或情况的药物。
• Aminophenyl pyrimidone derivatives
  申请人：SANOFI-SYNTHELABO

  公开号：EP1136485A1

  公开（公告）日：2001-09-26

  The invention relates to a pyrimidone derivative represented by formula (I) or a salts thereof: wherein: n is 0 or 1, W represents a bond, a carbonyl group -C(O)- or a a sulfonyl group -S(O)2-; * When W represents a carbonyl group -C(O)- then R1 represents a hydrogen atom, a C1-6 alkyl group which may be substituted, a C6,10 aryl group which may be substituted or a heterocyclic ring having 1-4 hetero atoms selected from oxygen atom, sulfur atom, and nitrogen atom, having total ring-constituting atoms of 5-10 and being optionally substituted, * When W represents a sulfonyl group -S(O)2-, R1 represents a C1-6 alkyl group which may be substituted, a C6,10 aryl group which may be substituted or a heterocyclic ring having 1-4 hetero atoms selected from oxygen atom, sulfur atom, and nitrogen atom, having total ring-constituting atoms of 5-10 and being optionally substituted; * When W represents a bond then n is 0 and R1 represents a hydrogen atom or a C1-6 alkyl group, R2 represents a hydrogen atom or a C1-6 alkyl group which may be substituted by an optionally substituted phenyl group; and R3 represents a pyridyl ring optionally substituted by a C1-4 alkyl group, C1-4 alkoxy group or a halogen atom. The invention relates also to a medicament comprising the said derivative or a salt thereof as an active ingredient which is used for preventive and/or therapeutic treatment of a neurodegenerative disease caused by abnormal activity of GSK3β, such as Alzheimer's disease, Parkinson's disease, frontoparietal dementia, corticobasal degeneration, Pick's disease, cerebrovascular accidents, brain and spinal trauma, and peripheral neuropathies.

  该发明涉及一种由式（I）表示的嘧啶酮衍生物或其盐：其中：n为0或1，W代表键合，羰基-C（O）-或磺酰基-S（O）2-；* 当W代表羰基-C（O）-时，R1表示氢原子，可能被取代的C1-6烷基，可能被取代的C6,10芳基或具有1-4个异原子（氧原子、硫原子和氮原子）的杂环环，总环构成原子数为5-10且可选地取代；* 当W代表磺酰基-S（O）2-时，R1表示可能被取代的C1-6烷基，可能被取代的C6,10芳基或具有1-4个异原子（氧原子、硫原子和氮原子）的杂环环，总环构成原子数为5-10且可选地取代；* 当W代表键合时，n为0且R1表示氢原子或C1-6烷基，R2表示氢原子或可能被可选取代的苯基取代的C1-6烷基；R3表示可能被C1-4烷基，C1-4烷氧基或卤原子取代的吡啶环。该发明还涉及一种包含所述衍生物或其盐作为活性成分的药物，用于预防和/或治疗由GSK3β异常活性引起的神经退行性疾病，如阿尔茨海默病、帕金森病、额顶痴呆、皮克病、脑血管意外、脑脊髓创伤和周围神经病变。
• Substituted amide derivatives and methods of use
  申请人：Kim Tae-Seong

  公开号：US20080312232A1

  公开（公告）日：2008-12-18

  Selected compounds are effective for prophylaxis and treatment of diseases, such as HGF mediated diseases. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable salts thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving, cancer and the like. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

  所选化合物对于预防和治疗疾病，如HGF介导的疾病具有有效性。本发明涵盖了新型化合物、类似物、前药及其药学上可接受的盐、药物组合物和用于预防和治疗涉及癌症等疾病和其他疾病或状况的方法。本发明还涉及制备这些化合物的过程，以及在这些过程中有用的中间体。
• METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES
  申请人：KIM Tae-Seong

  公开号：US20120070413A1

  公开（公告）日：2012-03-22

  Selected compounds are effective for prophylaxis and treatment of diseases, such as HGF mediated diseases. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable salts thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving, cancer and the like. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

  选定的化合物对于预防和治疗疾病，如HGF介导的疾病非常有效。本发明包括新颖的化合物、类似物、前药和其药学上可接受的盐、制药组合物以及用于预防和治疗涉及癌症等疾病和其他疾病或情况的方法。本发明还涉及制备这些化合物的过程以及在这些过程中有用的中间体。