N-(3-氯-4-甲基苯基)-2-[2,6-二硝基-4-(三氟甲基)苯基]肼基硫代甲酰胺 | 436133-68-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(3-氯-4-甲基苯基)-2-[2,6-二硝基-4-(三氟甲基)苯基]肼基硫代甲酰胺
• 英文名称: N-(3-Chloro-4-methylphenyl)-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-hydrazinecarbothioamide
• 英文别名: 1-(3-chloro-4-methylphenyl)-3-[2,6-dinitro-4-(trifluoromethyl)anilino]thiourea
• CAS: 436133-68-5
• 化学式: C15H11ClF3N5O4S
• 分子量: 449.8
• InChiKey: KSJVAYBCXSURMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  160
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• [EN] HETERO-BIFUNCTIONAL DEGRADER COMPOUNDS AND THEIR USE AS MODULATORS OF TARGETED UBIQUINATION (VHL)<br/>[FR] COMPOSÉS DE DÉGRADATION HÉTÉRO-BIFONCTIONNELS ET LEUR UTILISATION EN TANT QUE MODULATEURS DE L'UBIQUINATION CIBLÉE (VHL)
  申请人：GENENTECH INC

  公开号：WO2019183523A1

  公开（公告）日：2019-09-26

  The present disclosure relates to bifunctional compounds, which can be used as modulators of targeted ubiquitination. In particular, the present disclosure is directed to compounds that contain on one end a VHL ligand moiety, which binds to the VHL ubiquitin ligase (E3), and on the other end a moiety that binds a target protein such that degradation of the target protein/polypeptide is effectuated. The target protein may be EGFR. Also disclosed are VHL ligands.

  本公开涉及双功能化合物，可用作靶向泛素化的调节剂。特别是，本公开是针对包含在一端具有VHL配体基团的化合物，该基团结合到VHL泛素连接酶(E3)，而在另一端具有结合目标蛋白的基团，从而实现目标蛋白/多肽的降解。目标蛋白可以是EGFR。还公开了VHL配体。
• Ras protein degradation inducing molecule and pharmaceutical composition
  申请人：Tokyo University of Science Foundation

  公开号：US11052154B2

  公开（公告）日：2021-07-06

  A Ras protein degradation inducing molecule that can induce degradation of Ras proteins, and a pharmaceutical composition that contains this Ras protein degradation inducing molecule are provided. The Ras protein degradation inducing molecule is a conjugate of a Ras protein affinity molecule which has affinity to Ras proteins, and a proteolysis-inducing tag which has affinity to protease and does not inhibit proteolysis of proteins by the protease.

  本发明提供了一种可诱导 Ras 蛋白降解的 Ras 蛋白降解诱导分子，以及一种含有这种 Ras 蛋白降解诱导分子的药物组合物。Ras 蛋白降解诱导分子是与 Ras 蛋白亲和的 Ras 蛋白亲和分子和与蛋白酶亲和的蛋白水解诱导标签的共轭物，蛋白水解诱导标签不抑制蛋白酶对蛋白质的蛋白水解。
• (4-hydroxypyrrolidin-2-yl)-heterocyclic compounds and methods of use thereof
  申请人：Genentech, Inc.

  公开号：US11242344B2

  公开（公告）日：2022-02-08

  The present disclosure relates to bifunctional compounds, which can be used as modulators of targeted ubiquitination. In particular, the present disclosure is directed to compounds which contain on one end a VHL ligand moiety, which binds to the VHL E3 ubiquitin ligase, and on the other end a moiety that binds a target protein such that degradation of the target protein/polypeptide is effectuated. Also disclosed are VHL ligands.

  本公开涉及可用作靶向泛素化调节剂的双功能化合物。特别是，本公开涉及的化合物一端含有与 VHL E3 泛素连接酶结合的 VHL 配体分子，另一端含有与靶蛋白结合的分子，从而实现靶蛋白/多肽的降解。还公开了 VHL 配体。
• Aqueous Solution Containing Partial Ras Polypeptide and Method for Screening Inhibitor of Ras Function
  申请人：Kataoka Tohru

  公开号：US20140024123A1

  公开（公告）日：2014-01-23

  Provided is a screening method for a more effective Ras inhibitor. Further provided are amino acid residues at a site important for an interaction with a Ras inhibitor in a Ras polypeptide. By confirming a difference between structural information on the Ras polypeptide by NMR and structural information between a complex of the Ras polypeptide and a seed compound by NMR, a more effective lead compound than the seed compound can be selected. As a result of analysis based on the structural information on the Ras polypeptide by NMR, the amino acid residues capable of interacting with a Ras inhibitor candidate (a) are K5, E37, D38, S39, L56, E63, Y64, A66, M67, Q70, Y71, R73, and T74 with reference to an amino acid sequence set forth in SEQ ID NO: 1.
• (4-HYDROXYPYRROLIDIN-2-YL)-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Genentech, Inc.

  公开号：US20210309660A1

  公开（公告）日：2021-10-07

  The present disclosure relates to bifunctional compounds, which can be used as modulators of targeted ubiquitination. In particular, the present disclosure is directed to compounds which contain on one end a VHL ligand moiety, which binds to the VHL E3 ubiquitin ligase, and on the other end a moiety that binds a target protein such that degradation of the target protein/polypeptide is effectuated. Also disclosed are VHL ligands.