Benzeneacetamide-4-O-sulphate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫酸及其衍生物
• 英文名称: Benzeneacetamide-4-O-sulphate
• 英文别名: [4-(2-amino-2-oxoethyl)phenyl] hydrogen sulfate
• 化学式: C₈H₉NO₅S
• 分子量: 231.23
• InChiKey: XPBXOWYWJUBGMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Sulfur(VI) fluoride compounds and methods for the preparation thereof
  申请人：The Scripps Research Institute

  公开号：US10117840B2

  公开（公告）日：2018-11-06

  This application describes a compound represented by Formula (I): (I) wherein: Y is a biologically active organic core group comprising one or more of an aryl group, a heteroaryl aryl group, a nonaromatic hydrocarbyl group, and a nonaromatic heterocyclic group, to which Z is covalently bonded; n is 1, 2, 3, 4 or 5; m is 1 or 2; Z is O, NR, or N; X1 is a covalent bond or —CH2CH2—, X2 is O or NR; and R comprises H or a substituted or unsubstituted group selected from an aryl group, a heteroaryl aryl group, a nonaromatic hydrocarbyl group, and a nonaromatic heterocyclic group. Methods of preparing the compounds, methods of using the compounds, and pharmaceutical compositions comprising the compounds are described as well.

  该应用描述了由式(I)表示的化合物：(I)其中：Y是一个生物活性有机核心基团，包括芳基、杂芳基、非芳香烃基和非芳香杂环基中的一个或多个，其中Z与之以共价键结合；n为1、2、3、4或5；m为1或2；Z为O、NR或N；X1为共价键或—CH2CH2—，X2为O或NR；R包括H或从芳基、杂芳基、非芳香烃基和非芳香杂环基中选择的取代或未取代基团。还描述了制备这些化合物的方法、使用这些化合物的方法以及包含这些化合物的药物组合物。
• SULFUR (VI) FLUORIDE COMPOUNDS AND THEIR USE AS SCREENING AGENT
  申请人：The Scripps Research Institute

  公开号：EP3892610A1

  公开（公告）日：2021-10-13

  This application describes a compound represented by Formula (III): wherein: A is a biologically active organic core group comprising one or more of an aryl group, a heteroaryl aryl group, a nonaromatic hydrocarbyl group, and a nonaromatic heterocyclic group, to which Z is covalently bonded; n is 1, 2, 3, 4 or 5; m is 1 or 2; Z is O, NR, or N; X1 is a covalent bond or -CH2CH2-, and R comprises H or a substituted or unsubstituted group selected from an aryl group, a heteroaryl aryl group, a nonaromatic hydrocarbyl group, and a nonaromatic heterocyclic group. Methods of using the compounds as screening agent to identify drug targets, and pharmaceutical compositions comprising the compounds are described as well.

  本申请描述了一种由式 (III) 表示的化合物： 其中A 是生物活性有机核心基团，包括芳基、杂芳基、非芳香烃基和非芳香杂环基中的一个或多个，Z 与之共价键合；n 是 1、2、3、4 或 5；m为1或2；Z为O、NR或N；X1为共价键或-CH2CH2-，R包括H或一个取代或未取代的基团，该基团选自芳基、杂芳基、非芳香烃基和非芳香杂环基。 此外，还描述了将这些化合物用作筛选剂以确定药物靶点的方法，以及包含这些化合物的药物组合物。
• Sulfur (VI) fluoride compounds and methods for the preparation thereof
  申请人：THE SCRIPPS RESEARCH INSTITUTE

  公开号：US11141385B2

  公开（公告）日：2021-10-12

  This application describes a compound represented by Formula (I): wherein: Y is a biologically active organic core group comprising one or more of an aryl group, a heteroaryl aryl group, a nonaromatic hydrocarbyl group, and a nonaromatic heterocyclic group, to which Z is covalently bonded; n is 1, 2, 3, 4 or 5; m is 1 or 2; Z is O, NR, or N; X1 is a covalent bond or —CH2CH2—, X2 is O or NR; and R comprises H or a substituted or unsubstituted group selected from an aryl group, a heteroaryl aryl group, a nonaromatic hydrocarbyl group, and a nonaromatic heterocyclic group. Methods of preparing the compounds, methods of using the compounds, and pharmaceutical compositions comprising the compounds are described as well.

  本申请描述了一种由式 (I) 表示的化合物： 其中Y 是生物活性有机核心基团，包括芳基、杂芳基、非芳香烃基和非芳香杂环基中的一个或多个，Z 与之共价键合；n 是 1、2、3、4 或 5；m 是 1 或 2；Z是O、NR或N；X1是共价键或-CH2CH2-，X2是O或NR；R包括H或选自芳基、杂芳基、非芳香烃基和非芳香杂环基的取代或未取代基团。此外，还描述了制备这些化合物的方法、使用这些化合物的方法以及包含这些化合物的药物组合物。
• SULFUR(VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF
  申请人：The Scripps Research Institute

  公开号：EP3151817B1

  公开（公告）日：2021-03-03
• SULFUR (VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF
  申请人：THE SCRIPPS RESEARCH INSTITUTE

  公开号：US20200397719A1

  公开（公告）日：2020-12-24

  This application describes a compound represented by Formula (I): wherein: Y is a biologically active organic core group comprising one or more of an aryl group, a heteroaryl aryl group, a nonaromatic hydrocarbyl group, and a nonaromatic heterocyclic group, to which Z is covalently bonded; n is 1, 2, 3, 4 or 5; m is 1 or 2; Z is O, NR, or N; X 1 is a covalent bond or —CH 2 CH 2 —, X 2 is O or NR; and R comprises H or a substituted or unsubstituted group selected from an aryl group, a heteroaryl aryl group, a nonaromatic hydrocarbyl group, and a nonaromatic heterocyclic group. Methods of preparing the compounds, methods of using the compounds, and pharmaceutical compositions comprising the compounds are described as well.