p-tolyl s-butyl ether | 51241-46-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: p-tolyl s-butyl ether
• 英文别名: 4-sec-Butoxytoluol；p-Kresyl-(1-methylpropyl)-ether；sec.Butyl-(4-methylphenyl)-ether；(+/-)-2-p-tolyloxy-butane；(+/-)-2-p-Tolyloxy-butan；1-[(Butan-2-yl)oxy]-4-methylbenzene；1-butan-2-yloxy-4-methylbenzene
• CAS: 51241-46-4
• 化学式: C₁₁H₁₆O
• 分子量: 164.247
• InChiKey: VALIDHVHMWCAQG-UHFFFAOYSA-N

物化性质

• 沸点：
  58-59 °C(Press: 4 Torr)
• 密度：
  0.914±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  硫酸 、 p-tolyl s-butyl ether 、 溶剂黄146 生成 乙酸仲丁酯 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Molecular Rearrangements Involving Optically Active Radicals. V. The Rearrangement of Optically Active Alkyl Phenyl Ethers¹

  摘要：

  DOI：

  10.1021/ja01323a020
• 作为产物：
  描述：

  对甲酚 在 Lindlar's catalyst 氢氧化钾 、 氢气 作用下， 以 丙酮 为溶剂， 生成 p-tolyl s-butyl ether
  参考文献：
  名称：

  Bunina-Krivorukova,L.I. et al., Journal of Organic Chemistry USSR (English Translation), 1971, vol. 7, p. 1496 - 1500

  摘要：

  DOI：

文献信息

• [EN] NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS<br/>[FR] NOUVEAUX DERIVES DE PYRIDINONE ET LEUR UTILISATION EN TANT QUE MODULATEURS ALLOSTERIQUES POSITIFS DES RECEPTEURS MGLUR2
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2006030032A1

  公开（公告）日：2006-03-23

  The present invention relates to novel compounds, in particular novel pyridinone derivat ives according to Formula (I) X R1 N Y (I) R2 R3 wherein all radicals are defined in the application. The compounds according to the invention are positive allosteric modulators of metabotropic receptors - subt ype 2 ('mGluR2') which are useful for the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which the mGluR2 subtype of metabotropic receptors is involved. In particular, such diseases are central nervous system disorders selected from the group of anxiety, schizophrenia, migraine, depression, and epilepsy. The invention is also directed to pharmaceutical compositions and processes to prepare such compounds and compositions, as well as to the use of such compounds for the prevention and treatment of such diseases in which mGluR2 is involved.

  本发明涉及新化合物，特别是根据式（I）X R1 N Y（I）R2 R3定义的新吡啶酮衍生物。根据本发明的化合物是代谢型受体-亚型2（'mGluR2'）的阳性变构调节剂，对于治疗或预防与谷氨酸功能障碍相关的神经和精神障碍以及涉及代谢型受体的mGluR2亚型的疾病具有用处。特别是，这些疾病是从焦虑、精神分裂症、偏头痛、抑郁症和癫痫等中枢神经系统障碍组中选择的。该发明还涉及制备此类化合物和组合物的药物组合物和过程，以及利用这类化合物预防和治疗涉及mGluR2的这类疾病。
• Kinetics and mechanisms of nucleophilic displacements with heterocycles as leaving groups. Part 10. Reactions of s-alkyl primary amines with pyryliums
  作者：Alan R. Katritzky、Jorge Marquet、Jeremy M. Lloyd、James G. Keay

  DOI：10.1039/p29830001435

  日期：——

  α-phenylbenzylamine forms the corresponding carbonium ions which may be trapped by nucleophiles. Isolated 1-cycloalkylbenzoquinoliniums (2) solvolyse but the SN1 mechanism (for five-, six-, and seven-membered rings): for the cyclobutyl case an SN2 reaction is also found.

  2,4,6-三苯基吡啶与仲烷基胺可制得可分离的吡啶鎓（吡啶鎓被亲核试剂取代为S N 2并消除为烯烃）。与1-苯基乙胺和α-苯基苄基胺形成的2,4,6-三苯基吡啶鎓形成相应的碳离子，这些碳离子可能被亲核试剂捕获。分离的1-环烷基苯并喹啉鎓盐（2）溶剂分解但具有S N 1机理（对于五元，六元和七元环）：对于环丁基，还会发现S N 2反应。
• [EN] METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE IN COMBINATION WITH AN ANTI-CD38 THERAPEUTIC AGENT<br/>[FR] PROCÉDÉS ET COMPOSITIONS D'INHIBITION DE DIHYDROOROTATE DÉSHYDROGÉNEASE EN COMBINAISON AVEC UN AGENT THÉRAPEUTIQUE ANTI-CD38
  申请人：OHIO STATE INNOVATION FOUNDATION

  公开号：WO2021134045A1

  公开（公告）日：2021-07-01

  Disclosed are pharmaceutical combinations and methods of treating a clinical condition, e.g., AML, by administering to a subject a pharmaceutical combination comprising a DHODH inhibitor and an anti-CD38 therapeutic agent such as a anti-CD38 antibody. The pharmaceutical combination can further comprise one or more additional therapeutic agents. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present disclosure.

  本文揭示了一种药物组合和治疗临床病症的方法，例如AML，通过向受试者施用包含DHODH抑制剂和抗CD38治疗药物（如抗CD38抗体）的药物组合来治疗。该药物组合还可以包括一个或多个额外的治疗药物。本摘要旨在作为在特定领域搜索的扫描工具，不打算限制本公开内容。
• NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS
  申请人：Imogai Julien Hassan

  公开号：US20070213323A1

  公开（公告）日：2007-09-13

  The present invention relates to novel compounds, in particular novel pyridinone derivatives according to Formula (I) X R1 N Y (I) R2 R3 wherein all radicals are defined in the application. The compounds according to the invention are positive allosteric modulators of metabotropic receptors-subtype 2 (“mGluR2”) which are useful for the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which the mGluR2 subtype of metabotropic receptors is involved. In particular, such diseases are central nervous system disorders selected from the group of anxiety, schizophrenia, migraine, depression, and epilepsy. The invention is also directed to pharmaceutical compositions and processes to prepare such compounds and compositions, as well as to the use of such compounds for the prevention and treatment of such diseases in which mGluR2 is involved.

  本发明涉及新型化合物，特别是按照公式（I）X R1 N Y（I）R2 R3定义的新型吡啶酮衍生物。该发明的化合物是代谢型受体亚型2（“mGluR2”）的正向变构调节剂，适用于治疗或预防与谷氨酸功能障碍相关的神经系统和精神障碍以及涉及代谢型受体亚型2的疾病。特别是，这些疾病是选择自焦虑、精神分裂症、偏头痛、抑郁症和癫痫等中枢神经系统疾病的一组。本发明还涉及制备这种化合物和组合物的制药组合物和制备过程，以及利用这种化合物预防和治疗涉及mGluR2的这些疾病的用途。
• Fused Heterocyclic Compounds as Selective BMP Inhibitors
  申请人：VANDERBILT UNIVERSITY

  公开号：US20160068525A1

  公开（公告）日：2016-03-10

  The present invention provides small molecule inhibitors of BMP signaling. These compounds may be used to modulate cell growth, differentiation, proliferation, and apoptosis, and thus may be useful for treating diseases or conditions associated with BMP signaling, including inflammation, cardiovascular disease, hematological disease, cancer, and bone disorders, as well as for modulating cellular differentiation and/or proliferation.

  本发明提供了BMP信号通路的小分子抑制剂。这些化合物可用于调节细胞生长、分化、增殖和凋亡，因此可用于治疗与BMP信号通路相关的疾病或情况，包括炎症、心血管疾病、血液病、癌症和骨骼疾病，以及用于调节细胞分化和/或增殖。