5-[4-苯基-5-(三氟甲基)-2-噻吩基]-3-[3-(三氟甲基)苯基]-1,2,4-恶二唑 | 256414-75-2

• 物质功能分类: 生物 - 细胞培养 - 添加剂
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 5-[4-苯基-5-(三氟甲基)-2-噻吩基]-3-[3-(三氟甲基)苯基]-1,2,4-恶二唑
• 中文别名: 5-[4-苯基-5-(三氟甲基)-2-噻吩]-3-[3-(三氟甲基)苯基]-1,2,4-噁二唑
• 英文名称: 5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
• 英文别名: 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
• CAS: 256414-75-2
• 化学式: C₂₀H₁₀F₆N₂OS
• mdl: MFCD00096600
• 分子量: 440.4
• InChiKey: OYMNPJXKQVTQTR-UHFFFAOYSA-N

物化性质

• 熔点：
  94.5-95.3 °C
• 沸点：
  490.3±55.0 °C(Predicted)
• 密度：
  1.415±0.06 g/cm3(Predicted)
• 溶解度：
  二甲基亚砜：17 毫克/毫升

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  67.2
• 氢给体数：
  0
• 氢受体数：
  10

安全信息

• 危险品标志：
  T
• 危险类别码：
  R25
• 危险品运输编号：
  UN 2811 6.1/PG 3
• 安全说明：
  S45
• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P264,P301+P310
• 危险性描述：
  H300

制备方法与用途

生物活性

SEW 2871是一种选择性的S1P1受体激动剂，EC50值为13 nM。

靶点

• EC50: 13.8 nM (S1P1)

文献信息

• 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。
• COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF
  申请人：HABASHITA Hiromu

  公开号：US20120064060A1

  公开（公告）日：2012-03-15

  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 heterocylic group which contains at least one nitrogen atom and which may have a substituent(s); n represents 0 to 3, and when n is 2 or more, a plurality of ring A's may be the same or different from one another); a salt, an N-oxide form, a solvate, or a prodrug thereof; and a medicament which includes those. The compound of 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.

  提供了一个由式(I)表示的化合物：（其中，环A和环D分别表示可能具有取代基的环状基团；E和G分别表示具有1-8个原子的主链中的键或间隔物；L表示氢原子或取代基；X表示氨基，可能具有取代基，或者含有至少一个氮原子且可能具有取代基的杂环基团；n表示0-3，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、溶剂合物或前药；以及包括这些的药物。式(I)化合物能够结合S1P受体（特别是EDG-1和/或EDG-6），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。
• Method Of Treating Acute Lung Injury Using Sphingosine 1 Phosphate Analogs Or Sphingosine 1 Phosphate Receptor Agonists
  申请人：Garcia Joe G.N.

  公开号：US20130079309A1

  公开（公告）日：2013-03-28

  The invention provides methods for treating or reducing the risk of developing acute lung injury manifested by increased vascular permeability. Also provided are pharmaceutical compositions comprising an FTY720 analog or derivative and/or SEW 2871 for use in the disclosed methods. The invention also provides methods for treating or reducing the risk of developing acute lung injury resulting from dysregulation of ceramide/sphingolipid pathway, more specifically, acute lung injury resulting from radiation.

  本发明提供了治疗或减少因增加血管通透性而表现为急性肺损伤的方法。还提供了包含FTY720类似物或衍生物和/或SEW 2871的药物组合物，用于所述方法。本发明还提供了治疗或减少因鞘氨醇/鞘脂代谢通路失调而导致的急性肺损伤的方法，更具体地说，是由放射线引起的急性肺损伤。
• Stabilization of alcohol intoxication-induced cardiovascular instability
  申请人：Breslin Jerome William

  公开号：US10111841B2

  公开（公告）日：2018-10-30

  The present invention concerns use of an agent that increases sphingosine-1-phosphate (S1P) receptor activity, such as S1P, or an S1P receptor agonist, for treatment of alcohol-intoxicated subjects will help stabilize blood pressure and improve resuscitation efforts in alcohol-intoxicated subjects, including alcohol-intoxicated trauma patients. Another aspect concerns a kit for stabilization of alcohol-intoxicated subjects, comprising an agent that increases S1P receptor activity.

  本发明涉及一种增加鞘氨醇-1-磷酸（S1P）受体活性的药剂，如 S1P 或 S1P 受体激动剂，用于治疗酒精中毒者，将有助于稳定血压和改善酒精中毒者（包括酒精中毒的创伤患者）的复苏工作。另一个方面涉及一种用于稳定酒精中毒受试者的试剂盒，其中包含一种能提高 S1P 受体活性的制剂。
• Recombinant polypeptides and methods of use thereof
  申请人：Imunami Laboratories Pte. Ltd.

  公开号：US10675332B1

  公开（公告）日：2020-06-09

  The present disclosure provides methods of preventing, delaying the progression of, treating or alleviating a symptom of, or otherwise ameliorating cancer in a subject by administering a recombinant polypeptide and an agent that reduces IL-10 to a subject in need thereof.

  本公开提供了通过向有需要的受试者施用重组多肽和减少 IL-10 的制剂来预防、延缓癌症进展、治疗或减轻癌症症状或以其他方式改善受试者癌症状况的方法。