4-[5-[4-(2-甲基丙基)苯基]-1,2,4-恶二唑-3-基]苯甲醛 | 635701-88-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4-[5-[4-(2-甲基丙基)苯基]-1,2,4-恶二唑-3-基]苯甲醛
• 英文名称: 4-[5-(4-isobutylphenyl)-1,2,4-oxadiazol-3-yl]-benzaldehyde
• 英文别名: 4-(5-(4-(2-methylpropyl)phenyl)-1,2,4-oxadiazol-3-yl)benzaldehyde；4-[5-[4-(2-Methylpropyl)phenyl]-1,2,4-oxadiazol-3-YL]benzaldehyde
• CAS: 635701-88-1
• 化学式: C₁₉H₁₈N₂O₂
• 分子量: 306.364
• InChiKey: ZTQLGRADBLZWQL-UHFFFAOYSA-N

物化性质

• 沸点：
  469.4±55.0 °C(Predicted)
• 密度：
  1.146

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  56
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[5-[4-(2-甲基丙基)苯基]-1,2,4-恶二唑-3-基]苯甲醛 、 甲基碘化镁 以 四氢呋喃 、 乙醚 为溶剂， 反应 0.5h， 生成 (+/-)-4-(5-(4-(2-methylpropyl)phenyl)-1,2,4-oxadiazol-3-yl)-1-(1-hydroxyethyl)benzene
  参考文献：
  名称：

  [EN] 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)AZETIDINE-3-CARBOXYLATES AND 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)PYRROLIDINE-3-CARBOXYLATES AS EDG RECEPTOR AGONISTS
  [FR] 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)AZETIDINE-3-CARBOXYLATES ET 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)PYRROLIDINE-3-CARBOXYLATES UTILISES EN TANT QU'AGONISTES DU RECEPTEUR EDG

  摘要：

  公开号：

  WO2003105771A3
• 作为产物：
  描述：

  4-(羟甲基)苯甲腈 在 manganese(IV) oxide 、 盐酸羟胺 、 碳酸氢钠 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 9.5h， 生成 4-[5-[4-(2-甲基丙基)苯基]-1,2,4-恶二唑-3-基]苯甲醛
  参考文献：
  名称：

  COMPOUND FOR IMMUNE MODULATION, USE THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME

  摘要：

  公开号：

  EP3048103B1

文献信息

• Amine Compounds
  申请人：Ohmori Yutaka

  公开号：US20080200535A1

  公开（公告）日：2008-08-21

  There is provided a compound exhibiting an activity of suppressing immune response with reduced adverse drug reactions, which compound is useful in the chemotherapy for preventing or treating, for example, a wide range of various autoimmune diseases including systemic erythematodes, chronic rheumatoid arthritis, Type I diabetes, inflammatory bowel disease, biliary cirrhosis, uveitis, multiple sclerosis or other disorders, or chronic inflammatory diseases, or cancers, lymphoma or leukemia, or resistance to organ or tissue transplantation or rejection against transplantation. Novel amine compounds having an S1P1/Edg1 receptor agonist effect, possible stereoisomers or racemic bodies of the compounds, or pharmacologically acceptable salts, hydrates or solvates of the compound, the stereoisomers or the racemic bodies, or prodrugs of the compounds, the stereoisomers, the racemic bodies, the salts, the hydrates or the solvates, are provided.

  提供了一种化合物，具有抑制免疫反应并减少不良药物反应的活性，该化合物在化疗中用于预防或治疗各种自身免疫性疾病，包括系统性红斑狼疮、慢性类风湿关节炎、I型糖尿病、炎症性肠病、胆汁性肝硬化、葡萄膜炎、多发性硬化或其他疾病，慢性炎症性疾病，癌症，淋巴瘤或白血病，器官或组织移植的抗性或对移植的排斥。提供了具有S1P1/Edg1受体激动剂作用的新型胺类化合物，可能是这些化合物的立体异构体或消旋体，或这些化合物、立体异构体或消旋体的药理学上可接受的盐、水合物或溶剂合物，或这些化合物、立体异构体、消旋体、盐、水合物或溶剂的前药。
• CYCLOALKYLAMINO ACID DERIVATIVES
  申请人：Bhattacharya Kumar Samit

  公开号：US20070270438A1

  公开（公告）日：2007-11-22

  The invention relates to compounds of formula I and to pharmaceutically acceptable salts, prodrugs, solvates or hydrates thereof; wherein B, D, E, R 1 , R 2 , R 3 , R 4 , R 5 , R 8 , m, n, p, q, r, s, t and u are as defined herein. This invention also relates to a method of using such compounds in the treatment of hyperproliferative diseases and autoimmune diseases in mammals, especially humans, and to pharmaceutical compositions containing such compounds.

  该发明涉及公式I的化合物及其药学上可接受的盐、前药、溶剂合物或水合物；其中B、D、E、R1、R2、R3、R4、R5、R8、m、n、p、q、r、s、t和u的定义如本文所述。该发明还涉及一种在哺乳动物，尤其是人类中，治疗增殖过度性疾病和自身免疫疾病的方法，以及含有这种化合物的药物组合物。
• [EN] PROCESS FOR MAKING AZETIDINE-3-CARBOXYLIC ACID<br/>[FR] PROCEDE DE FABRICATION DE L'ACIDE AZETIDINE-3-CARBOXYLIQUE
  申请人：MERCK & CO INC

  公开号：WO2004035538A1

  公开（公告）日：2004-04-29

  The present invention is directed to an improved process for synthesizing azetidine-3-carboxylic acid, comprising triflating diethylbis(hydroxymethyl)malonate followed by azetidine ring-formation by intramolecular cyclization using an amine, decarboxylation to give the mono acid azetidine and hydrogenation to give the title compound. Azetidine-3-carboxylic acid is useful as an intermediate for making certain S1P?1#191/Edg1 receptor agonists, which are immunosupressive agents.

  本发明涉及一种改进的合成氮杂环丙氨酸的方法，包括对二乙基双(羟甲基)丙二酸酯进行三氟甲基化处理，然后通过内环化反应使用胺进行氮杂环丙烷环的形成，再进行脱羧反应得到单羧基氮杂环丙烷，最后进行氢化反应得到目标化合物。氮杂环丙氨酸可作为制备某些S1P?1#191/Edg1受体激动剂的中间体，这些激动剂是免疫抑制剂。
• 1-((5-aryl-1,2,4-oxadiazol-3-yl) benzyl)azetidine-3-carboxylates and 1-((5-aryl-1,2,4-oxadiazol-3-yl)benzyl) pyrrolidine-3-carboxylates as edg receptor agonists
  申请人：Chen Weirong

  公开号：US20050245575A1

  公开（公告）日：2005-11-03

  The present invention encompasses compounds of Formula I: as well as the pharmaceutically acceptable salts and hydrates thereof. The compounds are useful for treating immune mediated diseases and conditions, such as bone marrow, organ and tissue transplant rejection. Pharmaceutical compositions and methods of use are included.

  本发明涵盖公式I的化合物，以及其药学上可接受的盐和水合物。这些化合物可用于治疗免疫介导的疾病和病况，例如骨髓、器官和组织移植排斥反应。还包括药物组合物和使用方法。
• Compound Having S1P Receptor Binding Potency and Use Thereof
  申请人：Habashita Hiromu

  公开号：US20080207584A1

  公开（公告）日：2008-08-28

  Provided are: a compound represented by formula (I): (wherein ring A and ring D each represent a cyclic group which may have a substituent(s); E and G each represent a bond or a spacer having 1 to 8 atoms in its main chain; L represents a hydrogen atom or a substituent; X represents amino which may have a substituent(s), or a heterocyclic group which contains at least one nitrogen atom and which may have a substituent(s); n represents 0 to 3, in which when n is 2 or more, a plurality of ring A's may be the same or different from one another); a salt thereof; an N-oxide form thereof; a solvate thereof, a prodrug thereof; and a medicament which includes those. The compound represented by formula (I) is capable of binding S1P receptors (in particular, EDG-1 and/or EDG-6), and useful for preventing and/or treating rejection in transplantation, autoimmune diseases, allergic diseases, etc.

  提供的是一个由式(I)表示的化合物：其中，环A和环D分别表示可以具有取代基的环状基团；E和G分别表示具有1至8个原子的主链上的键或间隔物；L表示氢原子或取代基；X表示可以具有取代基的氨基或含有至少一个氮原子且可以具有取代基的杂环基团；n表示0至3，在其中当n为2或更多时，多个环A可以相同或不同。还提供了该化合物的盐、N-氧化物形式、溶剂化物、前药和包括其的药物。该化合物能够结合S1P受体（特别是EDG-1和/或EDG-6），并用于预防和/或治疗移植排斥、自身免疫性疾病、过敏性疾病等。