2-chloro-3-methoxy-4-methylsulfonylbenzoic acid | 105917-83-7

• 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: 2-chloro-3-methoxy-4-methylsulfonylbenzoic acid
• 英文别名: Benzoic acid, 2-chloro-3-methoxy-4-(methylsulfonyl)-
• CAS: 105917-83-7
• 化学式: C₉H₉ClO₅S
• 分子量: 264.686
• InChiKey: BQXRJSUDIQLLKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  89
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-chloro-3-methoxy-4-methylsulfonylbenzoic acid 在 草酰氯 、 potassium carbonate 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 1.17h， 生成 (3-oxocyclohexen-1-yl) 2-chloro-3-methoxy-4-methylsulfonylbenzoate
  参考文献：
  名称：

  [EN] COMPOSITIONS AND METHODS FOR TARGETED DEGRADATION OF PROTEINS IN A PLANT CELL
  [FR] COMPOSITIONS ET PROCÉDÉS DE DÉGRADATION CIBLÉE DE PROTÉINES DANS UNE CELLULE VÉGÉTALE

  摘要：

  Compounds, compositions, and methods for controlling the level of a target protein in a cell are described. Compounds of the disclosure include those having according to the formula PTM-L-LTM, wherein PTM is a targeting moiety that binds the target protein, L is a covalent bond or linker moiety, and LTM is a ubiquitin ligase binding moiety that binds a plant ubiquitin ligase. Additionally novel cereblon binding moieties are provided that may be used as molecular glues or in bifunctional compounds to target proteins in plants and mammals.

  公开号：

  WO2023034411A1
• 作为产物：
  描述：

  3-羟基苯甲酸甲酯 在 N-溴代丁二酰亚胺(NBS) 、 1,3-二氯-5,5-二甲基海因 、 lithium hydroxide monohydrate 、 水 、 盐酸二异丙胺 、 potassium carbonate 、 caesium carbonate 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 二甲基亚砜 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 46.0h， 生成 2-chloro-3-methoxy-4-methylsulfonylbenzoic acid
  参考文献：
  名称：

  [EN] COMPOSITIONS AND METHODS FOR TARGETED DEGRADATION OF PROTEINS IN A PLANT CELL
  [FR] COMPOSITIONS ET PROCÉDÉS DE DÉGRADATION CIBLÉE DE PROTÉINES DANS UNE CELLULE VÉGÉTALE

  摘要：

  Compounds, compositions, and methods for controlling the level of a target protein in a cell are described. Compounds of the disclosure include those having according to the formula PTM-L-LTM, wherein PTM is a targeting moiety that binds the target protein, L is a covalent bond or linker moiety, and LTM is a ubiquitin ligase binding moiety that binds a plant ubiquitin ligase. Additionally novel cereblon binding moieties are provided that may be used as molecular glues or in bifunctional compounds to target proteins in plants and mammals.

  公开号：

  WO2023034411A1

文献信息

• [EN] COMPOSITIONS AND METHODS FOR TARGETED DEGRADATION OF PROTEINS IN A PLANT CELL<br/>[FR] COMPOSITIONS ET PROCÉDÉS DE DÉGRADATION CIBLÉE DE PROTÉINES DANS UNE CELLULE VÉGÉTALE
  申请人：[en]OERTH BIO LLC

  公开号：WO2023034411A1

  公开（公告）日：2023-03-09

  Compounds, compositions, and methods for controlling the level of a target protein in a cell are described. Compounds of the disclosure include those having according to the formula PTM-L-LTM, wherein PTM is a targeting moiety that binds the target protein, L is a covalent bond or linker moiety, and LTM is a ubiquitin ligase binding moiety that binds a plant ubiquitin ligase. Additionally novel cereblon binding moieties are provided that may be used as molecular glues or in bifunctional compounds to target proteins in plants and mammals.