isobutyl-quinazolin-4-yl-amine | 22754-09-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: isobutyl-quinazolin-4-yl-amine
• 英文别名: N-(2-methylpropyl)quinazolin-4-amine
• CAS: 22754-09-2
• 化学式: C₁₂H₁₅N₃
• mdl: MFCD02943319
• 分子量: 201.271
• InChiKey: VYWCYZSHFOVZJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  37.8
• 氢给体数：
  1
• 氢受体数：
  3

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。
• 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.
• US9403763B2
  申请人：——

  公开号：US9403763B2

  公开（公告）日：2016-08-02