6-[(甲基磺酰基)硫代]己酸 | 76078-72-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 6-[(甲基磺酰基)硫代]己酸
• 英文名称: 6-((methylsulfonyl)thio)hexanoic acid
• 英文别名: 6-methylsulfonylsulfanylhexanoic acid
• CAS: 76078-72-3
• 化学式: C₇H₁₄O₄S₂
• 分子量: 226.318
• InChiKey: FELVFSYUZJCULW-UHFFFAOYSA-N

物化性质

• 溶解度：
  可溶于氯仿、二氯甲烷、乙酸乙酯、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-[(甲基磺酰基)硫代]己酸 在 4-甲基苯磺酸吡啶 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.03h， 生成 S-(6-(hydroxyamino)-6-oxohexyl)methanesulfonothioate
  参考文献：
  名称：

  Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A

  摘要：

  Botulinum neurotoxins have remarkable persistence (similar to weeks to months in cells), outlasting the small-molecule inhibitors designed to target them. To address this disconnect, inhibitors bearing two pharmacophores.a zinc binding group and a Cys-reactive warhead.were designed to leverage both affinity and reactivity. A series of first-generation bifunctional inhibitors was achieved through structure-based inhibitor design. Through X-ray crystallography, engagement of both the catalytic Zn2+ and Cys165 was confirmed. A second-generation series improved on affinity by incorporating known reversible inhibitor pharmacophores; the mechanism was confirmed by exhaustive dialysis, mass spectrometry, and in vitro evaluation against the C165S mutant. Finally, a third-generation inhibitor was shown to have good cellular activity and low toxicity. In addition to our findings, an alternative method of modeling time-dependent inhibition that simplifies assay setup and allows comparison of inhibition models is discussed.

  DOI：

  10.1021/acs.jmedchem.0c01006
• 作为产物：
  描述：

  4-溴丁酸 以 6-溴己酸 为溶剂， 生成 6-[(甲基磺酰基)硫代]己酸
  参考文献：
  名称：

  Linker compounds, linker-compound-ligands and linker-compound-receptors

  摘要：

  新型免疫测定方法利用了酶偶联的配体或受体，其中酶是细菌荧光素酶；用于执行该免疫测定的商业试剂盒；以及用于执行该测定的化合物。

  公开号：

  US04879249A1

文献信息

• [EN] PRODRUGS COMPRISING AN AMINOALKYL GLYCINE LINKER<br/>[FR] PROMÉDICAMENTS COMPRENANT UN LIEUR DE TYPE AMINOALKYLGLYCINE
  申请人：ASCENDIS PHARMA AS

  公开号：WO2016020373A1

  公开（公告）日：2016-02-11

  The present invention relates to novel prodrugs of primary or secondary amine- or hydroxyl- comprising biologically active moieties and pharmaceutically acceptable salts thereof, prodrug reagents, pharmaceutical compositions comprising said prodrugs and the use of said prodrugs.

  本发明涉及具有生物活性基团的一级或二级胺或羟基的新型前药及其药用盐，前药试剂，包含该前药的药物组合物以及该前药的使用。
• [EN] HYDROGEL CROSS-LINKED HYALURONIC ACID PRODRUG COMPOSITIONS AND METHODS<br/>[FR] COMPOSITIONS DE PROMÉDICAMENT D'HYDROGEL D'ACIDE HYALURONIQUE RÉTICULÉ ET PROCÉDÉS
  申请人：GENENTECH INC

  公开号：WO2018175788A1

  公开（公告）日：2018-09-27

  The present invention relates to hydrogel prodrug compositions comprising cross-linked hyaluronic acid (HA), or a derivative or a salt thereof, wherein the cross-linker system comprises a biodegradable spacer, wherein the cross-linked HA comprises a conjugated drug-linker, and wherein the linker is capable of releasing the drug under physiological conditions. The present invention further relates to methods for preparing the hydrogel prodrug compositions. The present invention further relates to methods for treating an ocular condition using the hydrogel compositions.

  本发明涉及羟基乙酸（HA）交联水凝胶前药组合物，或其衍生物或盐，其中交联剂系统包括可生物降解的间隔物，交联的HA包括共轭药物连接剂，并且连接剂能够在生理条件下释放药物。本发明还涉及制备水凝胶前药组合物的方法。本发明还涉及使用水凝胶组合物治疗眼部疾病的方法。
• [EN] ANTI-CTLA4 CONJUGATES<br/>[FR] CONJUGUÉS ANTI-CTLA4
  申请人：ASCENDIS PHARMA ONCOLOGY DIV A/S

  公开号：WO2020254611A1

  公开（公告）日：2020-12-24

  The present invention relates to an anti-CTLA4 conjugate or a pharmaceutically acceptable salt thereof, wherein said conjugate comprises a plurality of anti-CTLA4 moieties -D covalently conjugated via at least one moiety -L1-L2 - to a polymeric moiety Z, wherein -L1 - is covalently and reversibly conjugated to -D and -L2 - is covalently conjugated to Z and wherein -L1- is a linker moiety and -L2- is a chemical bond or a spacer moiety; and related aspects.

  本发明涉及一种抗CTLA4结合物或其药学上可接受的盐，其中所述结合物包括多个抗CTLA4基团-D，通过至少一个基团-L1-L2共价结合到聚合物基团Z上，其中-L1-与-D共价和可逆地结合，-L2-与Z共价结合，且-L1-是连接基团，-L2-是化学键或间隔基团；以及相关方面。
• [EN] ANTI-CTLA4 COMPOUNDS WITH LOCALIZED PD PROPERTIES<br/>[FR] COMPOSÉS ANTI-CTLA4 À PROPRIÉTÉS PD LOCALISÉES
  申请人：ASCENDIS PHARMA ONCOLOGY DIV A/S

  公开号：WO2020254607A1

  公开（公告）日：2020-12-24

  The present invention relates to a water-insoluble controlled-release anti-CTLA4 compound for use in the treatment of a cell-proliferation disorder, wherein the compound is administered by intra-tissue administration and wherein such intra-tissue administration induces local anti-CTLA4-induced T cell activation; and related aspects.

  本发明涉及一种水不溶性控释抗CTLA4化合物，用于治疗细胞增殖紊乱，其中该化合物通过组织内给药进行给予，该组织内给药诱导局部抗CTLA4诱导的T细胞激活；以及相关方面。
• [EN] CONJUGATES UNDERGOING INTRAMOLECULAR REARRANGEMENTS<br/>[FR] CONJUGUÉS SUBISSANT DES RÉARRANGEMENTS INTRAMOLÉCULAIRES
  申请人：ASCENDIS PHARMA AS

  公开号：WO2021136808A1

  公开（公告）日：2021-07-08

  The present invention relates to conjugates and pharmaceutically acceptable salts thereof, reagents, intermediates, methods for the synthesis of said conjugates, pharmaceutical compositions comprising said conjugates and the use of said conjugates.

  本发明涉及共轭物及其药用可接受盐、试剂、中间体、合成上述共轭物的方法、包含该共轭物的制药组合物和使用该共轭物的方法。