C3.8 | 956026-30-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 英文名称: C3.8
• 英文别名: 1-Tert-butyl-3-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
• CAS: 956026-30-5
• 化学式: C₁₇H₂₁N₅
• 分子量: 295.387
• InChiKey: LQYAYGWMAQFIAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  69.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  、 formamide 生成 C3.8
  参考文献：
  名称：

  A small molecule inhibitor selective for a variant ATP-binding site of the chaperonin GroEL

  摘要：

  The chaperonin GroEL is a megadalton-sized molecular machine that plays an essential role in the bacterial cell assisting protein folding to the native state through actions requiring ATP binding and hydrolysis. A combination of medicinal chemistry and genetics has been employed to generate an orthogonal pair, a small molecule that selectively inhibits ATPase activity of a GroEL ATP-binding pocket variant. An initial screen of kinase-directed inhibitors identified an active pyrazolo-pyrimidine scaffold that was iteratively modified and screened against a collective of GroEL nucleotide pocket variants to identify a cyclopentyl carboxamide derivative, EC3016, that specifically inhibits ATPase activity and protein folding by the GroEL mutant, I493C, involving a side chain positioned near the base of ATP. This orthogonal pair will enable in vitro studies of the action of ATP in triggering activation of GroEL-mediated protein folding and might enable further studies of GroEL action in vivo. The approach originated for studying kinases by Shokat and his colleagues may thus also be used to study large macromolecular machines. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.12.015

文献信息

• MODULATION OF PROTEIN TRAFFICKING
  申请人：Bulawa Christine Ellen

  公开号：US20100331297A1

  公开（公告）日：2010-12-30

  Compounds and compositions are provided for treatment or amelioration of one or more disorders characterized by defects in protein trafficking. A method of treating a disorder characterized by impaired protein trafficking includes administering to a subject or contacting a cell with a compound of Formula I: [formula here] or pharmaceutically acceptable salts or derivatives thereof.

  本发明提供用于治疗或改善由蛋白质运输缺陷所特征的一个或多个疾病的化合物和组合物。一种治疗由蛋白质运输受损所特征的疾病的方法包括向受试者施用或与细胞接触化合物I的药物或其药学上可接受的盐或衍生物。[公式在此]
• Regulating chimeric antigen receptors
  申请人：DANA-FARBER CANCER INSTITUTE, INC.

  公开号：US11311609B2

  公开（公告）日：2022-04-26

  This invention is in the area of compositions and methods for regulating chimeric antigen receptor immune effector cell, for example T-cell (CAR-T), therapy to modulate associated adverse inflammatory responses, for example, cytokine release syndrome and tumor lysis syndrome, using targeted protein degradation.

  本发明属于利用靶向蛋白降解调节嵌合抗原受体免疫效应细胞（例如 T 细胞（CAR-T））疗法以调节相关不良炎症反应（例如细胞因子释放综合征和肿瘤溶解综合征）的组合物和方法领域。
• ANTI-INFLAMMATORY PYRAZOLOPYRIMIDINES
  申请人：Shokat Kevan M.

  公开号：US20090124638A1

  公开（公告）日：2009-05-14

  The present invention provides anti-inflammatory compounds useful in the treatment of diseases and conditions in which inflammation is involved in disease progression or the manifestation of symptoms of the disease or condition.
• Anti-Inflammatory Pyrazolopyrimndines
  申请人：Shokat Kevan M.

  公开号：US20110144134A1

  公开（公告）日：2011-06-16

  The present invention provides anti-inflammatory compounds useful in the treatment of diseases and conditions in which inflammation is involved in disease progression or the manifestation of symptoms of the disease or condition.
• US9512125B2
  申请人：——

  公开号：US9512125B2

  公开（公告）日：2016-12-06