5-Nitro-2-pyridinesulfenyl chloride | 130156-01-3

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 5-Nitro-2-pyridinesulfenyl chloride
• 英文别名: 2-Pyridinesulfenyl chloride, 5-nitro-；(5-nitropyridin-2-yl) thiohypochlorite
• CAS: 130156-01-3
• 化学式: C₅H₃ClN₂O₂S
• 分子量: 190.61
• InChiKey: FUOFMUPIWBCBMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  84
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-Nitro-2-pyridinesulfenyl chloride 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 (R)-2-((5-nitropyridin-2-yl)disulfaneyl)propyl (4-(hydroxymethyl)phenyl)carbamate
  参考文献：
  名称：

  Immune Modulating Antibody–Drug Conjugate (IM-ADC) for Cancer Immunotherapy

  摘要：

  DOI：

  10.1021/acs.jmedchem.1c00961
• 作为产物：
  描述：

  2-巯基-5-硝基吡啶 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 5-Nitro-2-pyridinesulfenyl chloride
  参考文献：
  名称：

  Immune Modulating Antibody–Drug Conjugate (IM-ADC) for Cancer Immunotherapy

  摘要：

  DOI：

  10.1021/acs.jmedchem.1c00961

文献信息

• Design and synthesis of an opioid receptor probe: Mode of binding of S-activated (-)-6.BETA.-sulfhydryldihydromorphine with the SH group in the .MU.-opioid receptor.
  作者：Ken KANEMATSU、Ryo NAITO、Yasuyuki SHIMOHIGASHI、Motonori OHNO、Tomio OGASAWARA、Masayasu KURONO、Kunio YAGI

  DOI：10.1248/cpb.38.1438

  日期：——

  An S-activated sulfhydrylmorphine derivative was synthesized, and its linking to the μ-opioid receptor through a disulfide bond was demonstrated.

  合成了一种 S 活化的巯基吗啡衍生物，并证明了它通过二硫键与μ-阿片受体的连接。
• Ligand recognition in μ opioid receptor: experimentally based modeling of μ opioid receptor binding sites and their testing by ligand docking
  作者：Takeshi Sagara、Hiromu Egashira、Mikako Okamura、Ikuo Fujii、Yasuyuki Shimohigashi、Ken Kanematsu

  DOI：10.1016/s0968-0896(96)00219-2

  日期：1996.12

  For three-dimensional understanding of the mechanisms that control potency and selectivity of the ligand binding at the atomic level, we have analysed opioid receptor-ligand interaction based on the receptor's 3D model. As a first step, we have constructed molecular models for the multiple opioid receptor subtypes using bacteriorhodopsin as a template. The S-activated dihydromorphine derivatives should serve as powerful tools in mapping the three-dimensional structure of the mu opioid receptor, including the nature of the agonist-mediated conformational change that permits G protein-coupling to 'second messenger' effector molecules, and in identifying specific ligand-binding contacts with the mu opioid receptor. The analyses of the interactions of some opioid ligands with the predicted ligand binding sites are consistent with the results of the affinity labeling experiments. Copyright (C) 1996 Elsevier Science Ltd
• Derivatives of sulfonic acid amides and a method of preparing the same
  申请人：SCHERING CORP

  公开号：US02476655A1

  公开（公告）日：1949-07-19
• KANEMATSU, KEN;NAITO, RYO;SHIMOHIGASHI, YASUYUKI;OHNO, MOTONORI;OGASAWARA+, CHEM. AND PHARM. BULL., 38,(1990) N, C. 1438-1440
  作者：KANEMATSU, KEN、NAITO, RYO、SHIMOHIGASHI, YASUYUKI、OHNO, MOTONORI、OGASAWARA+

  DOI：——

  日期：——
• US5821263A
  申请人：——

  公开号：US5821263A

  公开（公告）日：1998-10-13