(4-isopropyl-benzyl)-guanidine | 46337-74-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (4-isopropyl-benzyl)-guanidine
• 英文别名: (4-Isopropyl-benzyl)-guanidin；2-[(4-Propan-2-ylphenyl)methyl]guanidine
• CAS: 46337-74-0
• 化学式: C₁₁H₁₇N₃
• 分子量: 191.276
• InChiKey: QLIXRNSPUJRJRY-UHFFFAOYSA-N

物化性质

• 沸点：
  307.9±45.0 °C(Predicted)
• 密度：
  1.07±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4-异丙基苄胺 、 S-甲基异硫脲硫酸盐 在 水 作用下， 生成 (4-isopropyl-benzyl)-guanidine
  参考文献：
  名称：

  Funke; Kornmann, Bulletin de la Societe Chimique de France, 1947, p. 1062,1065

  摘要：

  DOI：

文献信息

• CD4-MIMETIC INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US20140350113A1

  公开（公告）日：2014-11-27

  Described herein are small-molecule mimics of CD4, which both enter the Phe43 cavity and target Asp368 of gp120, the HIV-1 envelope protein. Also described herein are methods of using these compounds to inhibit the transmission or progression of HIV infection. These compounds exhibit antiviral potency greater than that of a known antiviral, NBD-556, with 100% breadth against clade B and C viruses. Importantly, the compounds do not activate HIV infection of CD4-negative, CCR5-positive cells, in contrast to NBD-556.

  本文描述了CD4的小分子模拟物，它们进入Phe43腔并靶向HIV-1包膜蛋白gp120的Asp368。本文还描述了使用这些化合物抑制HIV感染的传播或进展的方法。这些化合物表现出比已知抗病毒药物NBD-556更强的抗病毒效力，对B和C类病毒具有100％的广度。重要的是，与NBD-556相比，这些化合物不会激活CD4阴性，CCR5阳性细胞的HIV感染。
• Substituted bridged urea analogs as sirtuin modulators
  申请人：GLAXOSMITHKLINE LLC

  公开号：US10590135B2

  公开（公告）日：2020-03-17

  The present invention relates to novel substituted bridged urea compounds, corresponding related analogs, pharmaceutical compositions and methods of use thereof. Sirtuin-modulating compounds of the present invention may be used for increasing the lifespan of a cell, and treating and/or preventing a wide variety of diseases and disorders, which include, but are not limited to, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity. The present invention also related to compositions comprising a sirtuin-modulating compound in combination with another therapeutic agent.

  本发明涉及新型取代桥基脲化合物、相应的相关类似物、药物组合物及其使用方法。本发明的Sirtuin调节化合物可用于增加细胞的寿命，治疗和/或预防多种疾病和失调，这些疾病和失调包括但不限于例如与衰老或压力、糖尿病、肥胖、神经退行性疾病、心血管疾病、凝血障碍、炎症、癌症和/或潮红有关的疾病或失调，以及将受益于线粒体活性增加的疾病或失调。本发明还涉及由sirtuin调节化合物与另一种治疗剂组合而成的组合物。
• METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS
  申请人：CAMBRIDGE NEUROSCIENCE, INC.

  公开号：EP0918460A1

  公开（公告）日：1999-06-02
• CD4-MIMETIC SMALL MOLECULES SENSITIZE HUMAN IMMUNODEFICIENCY VIRUS TO VACCINE-ELICITED ANTIBODIES
  申请人：MADANI Navid

  公开号：US20160362478A1

  公开（公告）日：2016-12-15

  Described herein are methods of generating a protein binding domain that specifically binds to gp120 in a specific conformational state, comprising contacting gp120 with a CD4-mimetic compound, thereby forming gp120 in the specific conformational state; and generating antibodies to gp120 in the specific conformation state. Relatedly, the disclosure also describes methods of neutralizing HIV-1, comprising contacting HIV-1 with an effective amount of a CD4-mimetic compound, thereby forming HIV-1 having gp120 in a specific conformational state; and contacting the HIV-1 in the specific conformational state with an antibody.
• SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS
  申请人：GLAXOSMITHKLINE LLC

  公开号：US20170355697A1

  公开（公告）日：2017-12-14

  The present invention relates to novel substituted bridged urea compounds, corresponding related analogs, pharmaceutical compositions and methods of use thereof. Sirtuin-modulating compounds of the present invention may be used for increasing the lifespan of a cell, and treating and/or preventing a wide variety of diseases and disorders, which include, but are not limited to, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity. The present invention also related to compositions comprising a sirtuin-modulating compound in combination with another therapeutic agent.