Esculetin 6-glucoside | 66778-17-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: Esculetin 6-glucoside
• 英文别名: Esculin hydrate；7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one;hydrate
• CAS: 66778-17-4
• 化学式: 2C₁₅H₁₆O₉*3H₂O
• 分子量: 734.619
• InChiKey: CQYPGSKIFJFVDQ-QWFKVUSTSA-N

物化性质

• 熔点：
  203-205 °C
• 密度：
  0.791 g/mL at 20 °C
• 溶解度：
  在甲醇中可溶50 mg/mL 热，清澈到非常微浊，黄绿色荧光。

计算性质

• 辛醇/水分配系数(LogP)：
  -2.15
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  147
• 氢给体数：
  6
• 氢受体数：
  10

安全信息

• TSCA：
  Yes
• 安全说明：
  S26,S36/37,S36/37/39,S45
• 危险类别码：
  R20/21/22,R36/37/38,R11,R34,R68/20/21/22
• WGK Germany：
  2
• 危险品运输编号：
  UN 2924 3/PG 2
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

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。
• REAGENTS FOR FLUOROSULFATING ALCOHOLS OR AMINES
  申请人：BIODURO, LLC

  公开号：US20190047950A1

  公开（公告）日：2019-02-14

  Disclosed herein are compounds of formula Ar—N(SO 2 F) 2 , wherein Ar is selected from an optionally substituted aryl, an optionally substituted five-membered heteroaryl, or an optionally substituted six-membered heteroaryl. Also disclosed are methods of synthesizing the above compounds by reacting a compound of formula Ar—NH—R 9 with MN(SO 2 F) 2 .

  本文披露了公式Ar—N(SO2F)2的化合物，其中Ar选自可选择取代的芳基、可选择取代的五元杂芳基或可选择取代的六元杂芳基。还披露了通过将公式Ar—NH—R9的化合物与MN(SO2F)2反应来合成上述化合物的方法。
• METHODS AND COMPOSITIONS FOR TREATING INFECTION
  申请人：UNIVERSITY OF ROCHESTER

  公开号：US20150238473A1

  公开（公告）日：2015-08-27

  Provided herein are compositions and methods for treating or preventing infection.

  本文提供了用于治疗或预防感染的组合物和方法。
• Template-directed photoligation
  申请人：AMOCO CORPORATION

  公开号：EP0324616A2

  公开（公告）日：1989-07-19

  Methods, apparatus and compositions are presented for ligating ligands together which bind to a common target. One embodiment includes polynucleotide probes having pho­toreactive functional groups. The probes are capable of assuming substantially contiguous reactive positions on a target polynucleotide placing the photoreactive groups in juxtaposition. Activation of the photoreactive functional groups with radiant energy form a probe reaction product in which the probes are bound to each other.

  本文介绍了将与共同目标结合的配体连接在一起的方法、装置和组合物。其中一个实施方案包括具有光活性官能团的多核苷酸探针。这些探针能够在目标多核苷酸上占据基本连续的反应位置，并将光活性基团并置。光活性官能团在辐射能的激活下形成探针反应产物，其中的探针相互结合。
• 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。