| 5398-34-5

• 物质功能分类: 有机原料 - 氨基化合物 - 磺酸类氨基化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 5398-34-5
• 化学式: C10H9NNaO9S3
• 分子量: 406.4
• InChiKey: IKHHNCOHZJATBV-UHFFFAOYSA-N

物化性质

• 溶解度：
  15%醋酸：可溶
• 稳定性/保质期：
  在常温常压下保持稳定

计算性质

• 辛醇/水分配系数(LogP)：
  -0.22
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  214
• 氢给体数：
  4
• 氢受体数：
  10

安全信息

• 安全说明：
  S22,S24/25
• 危险类别码：
  R36/37/38
• WGK Germany：
  1
• 海关编码：
  2921450090

文献信息

• [EN] HETEROBIFUNCTIONAL PAN-SELECTIN ANTAGONISTS HAVING A TRIAZOLE LINKER<br/>[FR] ANTAGONISTES HÉTÉROBIFONCTIONNELS DE PAN-SÉLECTINE PRÉSENTANT UN LIEUR DE TYPE TRIAZOLE
  申请人：GLYCOMIMETICS INC

  公开号：WO2017095904A1

  公开（公告）日：2017-06-08

  Compounds, compositions, and methods for modulating in vitro and in vivo processes mediated by selectin binding. For example, heterobifunctional compounds that inhibit both E-selectins and P-selectins are described, wherein the selectin modulators that modulate (e.g., inhibit or enhance) a selectin-mediated function comprise particular glycomimetics linked to a member of a class of compounds termed BASAs (Benzyl Amino Sulfonic Acids). The compounds are of formula (la) wherein the substituents are as defined in the claims.

  用于调节体外和体内由选择素结合介导的过程的化合物、组合物和方法。例如，描述了抑制E-选择素和P-选择素的异双功能化合物，其中调节选择素的调节剂（例如，抑制或增强）选择素介导功能的包括特定的糖类似物与一类被称为BASAs（苄基氨基磺酸）的化合物结合的成员。这些化合物的化学式为（la），其中取代基如权利要求中所定义。
• HETEROBIFUNCTIONAL PAN-SELECTIN ANTAGONISTS HAVING A TRIAZOLE LINKER
  申请人：GlycoMimetics, Inc.

  公开号：EP3383882A1

  公开（公告）日：2018-10-10
• DEFENSIN-LIKE MOLECULES AS NOVEL ANTIMICROBIAL AGENTS
  申请人：De Leeuw Erik

  公开号：US20130231376A1

  公开（公告）日：2013-09-05

  Disclosed are methods of treating and/or preventing infections in mammals caused by microorganisms, by administering to a mammal a therapeutically effective amount of at least one defensin-like molecule, e.g., in a composition that includes such molecule. Also disclosed are the use of such defensin-like molecules for treating and/or preventing infections in mammals; and kits that may include such molecules, or compositions that include such molecules, as well as instructions for using such molecules to treat a mammal.
• Heterobifunctional Pan-Selectin Antagonists Having a Triazole Linker
  申请人：GlycoMimetics, Inc.

  公开号：US20180369205A1

  公开（公告）日：2018-12-27

  Compounds, compositions, and methods for modulating in vitro and in vivo processes mediated by selectin binding. For example, heterobifunctional compounds that inhibit both E-selectins and P-selectins are described, wherein the selectin modulators that modulate (e.g., inhibit or enhance) a selectin-mediated function comprise particular glycomimetics linked to a member of a class of compounds termed BASAs (Benzyl Amino Sulfonic Acids). The compounds are of formula (Ia) wherein the substituents are as defined in the claims.
• US8796323B2
  申请人：——

  公开号：US8796323B2

  公开（公告）日：2014-08-05