2-{[(dimethylamino)carbothioyl]sulfanyl}hexanoic acid | 94646-69-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-{[(dimethylamino)carbothioyl]sulfanyl}hexanoic acid
• 英文别名: ω--hexansaeure；ω-(N,N-Dimethyl-thiocarbamoylthio)-hexansaeure；6-[(Dimethylcarbamothioyl)sulfanyl]hexanoic acid；6-(dimethylcarbamothioylsulfanyl)hexanoic acid
• CAS: 94646-69-2
• 化学式: C₉H₁₇NO₂S₂
• 分子量: 235.371
• InChiKey: QTIGMNXKDBQQSI-UHFFFAOYSA-N

物化性质

• 熔点：
  82.0-83.5 °C
• 沸点：
  364.9±44.0 °C(Predicted)
• 密度：
  1.189±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  97.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6-溴己酸 、 sodium dimethyldithiocarbamate 在 sodium hydroxide 作用下， 反应 20.0h， 生成 2-{[(dimethylamino)carbothioyl]sulfanyl}hexanoic acid
  参考文献：
  名称：

  Hapten Synthesis for the Development of a Competitive Inhibition Enzyme-Immunoassay for Thiram

  摘要：

  An enzyme-linked immunosorbent assay (ELISA) was developed for the fungicide thiram. Two types of haptens were synthesized. The first type exhibits the two symmetrical N-alkyl dithiocarbamate patterns of thiram with a spacer arm linked to one of the N-methyl terminal group. The second type exhibits one of the two symmetrical N-alkyl dithiocarbamate patterns of thiram with a variable-length spacer arm linked to one sulfur atom. Polyclonal antibodies suitable for thiram detection were obtained from immunization with an hapten of the first type, while haptens of the second type were used as coating antigens to develop a competitive ELISA against thiram. The IC50 value for thiram was estimated to be 0.24 mug/mL, with a detection limit of 0.03 mug/mL. The assay seems to be thiram-specific since no or little cross-reaction with other dithiocarbamates were observed.

  DOI：

  10.1021/jf000378g

文献信息

• 795. Esters and derivatives of N-substituted dithiocarbamic acids and O-alkyl hydrogen dithiocarbonates
  作者：J. L. Garraway

  DOI：10.1039/jr9620004072

  日期：——
• PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS
  申请人：Seattle Children's Hospital (dba Seattle Children's Research Institute)

  公开号：US20200087399A1

  公开（公告）日：2020-03-19

  Aspects of the invention described herein relate to synthetic compounds that are useful for targeting and labeling tumor cells so as to facilitate recognition by binding agents including Chimeric Antigen Receptor T cells (CAR T cells), which are administered to a subject by intravenous or locoregional administration. Several compositions and methods of making and using these compositions to treat or inhibit a disease in a subject are contemplated.
• [EN] PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS<br/>[FR] AGENTS DE CIBLAGE DE TUMEUR À LYMPHOCYTES T CAR (CTCT) D'ÉTHER DE PHOSPHOLIPIDE (PLE)
  申请人：SEATTLE CHILDRENS HOSPITAL DBA SEATTLE CHILDRENS RES INST

  公开号：WO2018148224A1

  公开（公告）日：2018-08-16

  Aspects of the invention described herein relate to synthetic compounds that are useful for targeting and labeling tumor cells so as to facilitate recognition by binding agents including Chimeric Antigen Receptor T cells (CAR T cells), which are administered to a subject by intravenous or locoregional administration. Several compositions and methods of making and using these compositions to treat or inhibit a disease in a subject are contemplated.
• Hapten Synthesis for the Development of a Competitive Inhibition Enzyme-Immunoassay for Thiram
  作者：Françoise Gueguen、Frédéric Boisdé、Anne-Laurence Queffelec、Jean-Pierre Haelters、Daniel Thouvenot、Bernard Corbel、Patrice Nodet

  DOI：10.1021/jf000378g

  日期：2000.10.1

  An enzyme-linked immunosorbent assay (ELISA) was developed for the fungicide thiram. Two types of haptens were synthesized. The first type exhibits the two symmetrical N-alkyl dithiocarbamate patterns of thiram with a spacer arm linked to one of the N-methyl terminal group. The second type exhibits one of the two symmetrical N-alkyl dithiocarbamate patterns of thiram with a variable-length spacer arm linked to one sulfur atom. Polyclonal antibodies suitable for thiram detection were obtained from immunization with an hapten of the first type, while haptens of the second type were used as coating antigens to develop a competitive ELISA against thiram. The IC50 value for thiram was estimated to be 0.24 mug/mL, with a detection limit of 0.03 mug/mL. The assay seems to be thiram-specific since no or little cross-reaction with other dithiocarbamates were observed.