trans-(2-Phenylcyclopropyl)-harnstoff | 13140-87-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: trans-(2-Phenylcyclopropyl)-harnstoff
• 英文别名: trans-2-Ureido-1-phenyl-cyclopropan；[(1S,2R)-2-phenylcyclopropyl]urea
• CAS: 13140-87-9；19789-10-7；90917-95-6
• 化学式: C₁₀H₁₂N₂O
• 分子量: 176.218
• InChiKey: AVVMSHVXSGLTEZ-BDAKNGLRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  trans-2-phenylcyclopropyl isocyanate 在 氨 作用下， 以 苯 为溶剂， 生成 trans-(2-Phenylcyclopropyl)-harnstoff
  参考文献：
  名称：

  Kaiser,C. et al., Journal of medicinal and pharmaceutical chemistry, 1962, vol. 5, p. 1243 - 1265

  摘要：

  DOI：

文献信息

• AMINOAZOLE DERIVATIVE
  申请人：Teijin Pharma Limited

  公开号：US20190031628A1

  公开（公告）日：2019-01-31

  A compound, represented by the following formula or a medically acceptable salt thereof, having an effect of regulating the activity of an androgen receptor. In the formula, X represents S, O; Z represents (R a ) n -A- (CR 13 R 14 ) 0-1 —(CR 11 R 12 ) 0-1 ; A represents aryl, heteroaryl; R 1 represents alkyl, cycloalkyl, alkenyl, alkynyl, alkoxyalkyl, aryl, arylalkyl, heterocycle, heterocyclic alkyl; R 2 represents hydrogen, halogen, alkyl, cycloalkyl, phenyl; R3 represents hydrogen, halogen, alkyl, cycloalkyl, alkoxyalkyl, alkenyl, alkynyl, cycloalkenyl, aryl, arylalkyl, heterocycle, heterocyclic alkyl, acyl, cycloalkylcarbonyl, benzoyl, spiroalkyl, adamantyl, silyl, R 31 R 32 NCO—; R 4 and R 5 represent hydrogen, halogen, alkyl, phenyl, and cycloalkyl.

  一种化合物，由以下公式或其医学上可接受的盐表示，具有调节雄激素受体活性的作用。在公式中，X代表S，O；Z代表（R a ）n-A-（CR 13 R 14 ）0-1—（CR 11 R 12 ）0-1；A代表芳基，杂环芳基；R1代表烷基，环烷基，烯基，炔基，烷氧基烷基，芳基，芳基烷基，杂环，杂环烷基；R2代表氢，卤素，烷基，环烷基，苯基；R3代表氢，卤素，烷基，环烷基，烷氧基烷基，烯基，炔基，环烯烯基，芳基，芳基烷基，杂环，杂环烷基，酰基，环烷基羰基，苯甲酰基，螺环烷基，金刚烷基，硅基，R31R32NCO—；R4和R5代表氢，卤素，烷基，苯基和环烷基。
• [EN] TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF<br/>[FR] COMPOSÉS MODULATEURS DE TLR2, COMPOSITIONS PHARMACEUTIQUES ET LEURS UTILISATIONS
  申请人：AXIAL THERAPEUTICS INC

  公开号：WO2021242923A1

  公开（公告）日：2021-12-02

  The present disclosure relates to compounds which modulate the activity of Toll-like receptor (TLR) proteins, including agonists or activators, partial agonists, and antagonists. Of particular interest of compounds that modulate the activity of TLR2, as well as methods of using such compounds to treat cancer and other disorders associated with a TLR2 pathway.

  本公开涉及调节Toll样受体（TLR）蛋白活性的化合物，包括激动剂或激活剂、部分激动剂和拮抗剂。特别感兴趣的是调节TLR2活性的化合物，以及使用这些化合物治疗与TLR2通路相关的癌症和其他疾病的方法。
• Aminoazole derivative
  申请人：Teijin Pharma Limited

  公开号：US10689354B2

  公开（公告）日：2020-06-23

  A compound, represented by the following formula or a medically acceptable salt thereof, having an effect of regulating the activity of an androgen receptor. In the formula, X represents S, O; Z represents (Ra)n-A-(CR13R14)0-1—(CR11R12)0-1; A represents aryl, heteroaryl; R1 represents alkyl, cycloalkyl, alkenyl, alkynyl, alkoxyalkyl, aryl, arylalkyl, heterocycle, heterocyclic alkyl; R2 represents hydrogen, halogen, alkyl, cycloalkyl, phenyl; R3 represents hydrogen, halogen, alkyl, cycloalkyl, alkoxyalkyl, alkenyl, alkynyl, cycloalkenyl, aryl, arylalkyl, heterocycle, heterocyclic alkyl, acyl, cycloalkylcarbonyl, benzoyl, spiroalkyl, adamantyl, silyl, R31R32NCO—; R4 and R5 represent hydrogen, halogen, alkyl, phenyl, and cycloalkyl.

  一种由下式代表的化合物或其医学上可接受的盐，具有调节雄激素受体活性的作用。式中，X代表S、O；Z代表(Ra)n-A-(CR13R14)0-1-(CR11R12)0-1；A代表芳基、杂芳基；R1代表烷基、环烷基、烯基、炔基、烷氧基烷基、芳基、芳烷基、杂环、杂环烷基；R2代表氢、卤素、烷基、环烷基、苯基；R3 代表氢、卤素、烷基、环烷基、烷氧基烷基、烯基、炔基、环烯基、芳基、芳烷基、杂环、杂环烷基、酰基、环烷基羰基、苯甲酰基、螺烷基、金刚烷基、硅烷基、R31R32NCO-；R4 和 R5 代表氢、卤素、烷基、苯基和环烷基。
• Diprovocims: a new and potent class of TLR agonists
  申请人：The Scripps Research Institute

  公开号：US11040959B2

  公开（公告）日：2021-06-22

  A diprovocim compound that corresponds in structure to structural Formula V is disclosed, wherein A, W, Z, R1, R2, R3 and R4 (when present) are defined within. A diprovocim compound has immune-adjuvant properties on human and mouse cells in culture and on in vivo immunization of mice. A composition containing a diprovocim and a method of using a compound are also disclosed. The immunostimulatory activity of a diprovocim compound is similar to that of LPS, to which there is no apparent structural similarity. A contemplated compound bears no structural similarity to either the TLR1/TLR2 lipoprotein agonists nor to any other synthetic TLR agonist, and is remarkably easy to prepare and synthetically modify.

  本发明公开了一种在结构上与结构式 V 相对应的二鸦胆子苷化合物，其中 A、W、Z、R1、R2、R3 和 R4（当存在时）在结构式 V 中定义。一种双缩脲化合物对培养中的人和小鼠细胞以及小鼠体内免疫具有免疫佐剂特性。此外，还公开了一种含有二丙烯酰菌胺的组合物和一种化合物的使用方法。一种二丙烯酰氨化合物的免疫刺激活性与 LPS 相似，而 LPS 与二丙烯酰氨化合物没有明显的结构相似性。一种设想的化合物与 TLR1/TLR2 脂蛋白激动剂或任何其他合成的 TLR 激动剂都没有结构相似性，而且非常容易制备和合成修饰。
• Kirmse,W.; Schuette,H., Chemische Berichte, 1968, vol. 101, p. 1674 - 1688
  作者：Kirmse,W.、Schuette,H.

  DOI：——

  日期：——