benzoyl(mercaptoacetyl)glycine | 90236-39-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: benzoyl(mercaptoacetyl)glycine
• 英文别名: N-[(Benzoylsulfanyl)acetyl]glycine；2-[(2-benzoylsulfanylacetyl)amino]acetic acid
• CAS: 90236-39-8
• 化学式: C₁₁H₁₁NO₄S
• 分子量: 253.279
• InChiKey: BGPPNOVWPPOGOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(phenyliminomethyl)pyridine 、 [ReOCl₃(PPh₃)₂] 、 benzoyl(mercaptoacetyl)glycine 在 NaOH 、 HCl 、 CH₃COONa 作用下， 以 甲醇 为溶剂， 以70%的产率得到ReO(N-phenylpyridine-2-aldimine)(N-(2-mercaptoacetyl)glycine(-3H))
  参考文献：
  名称：

  Synthesis and Characterization of Novel “3 + 2” Oxorhenium Complexes, ReO[SNO][NN]

  摘要：

  The present paper deals with the synthesis and structural characterization of novel neutral oxorhenium(V) complexes of the general formula ReO[SNO][NN]. The simultaneous action of the tridentate SNO ligand, N-(2-mercaptoacetyl)glycine (1), and the bidentate NN ligand, N-phenylpyridine-2-aldimine (2), on ReOCl3(PPh3)(2) leads to the formation of two isomers 4a and 4b of the general formula ReO[SNO][NN], as a result of the different orientations of the NN ligand. In both cases, the SNO donor atoms of the tridentate ligand occupy the three positions in the equatorial plane of the distorted octahedron, whereas the oxo group is always directed toward one of the apical positions. In the first isomer, 4a, the imino nitrogen of the NN ligand occupies the fourth equatorial position and the pyridine type nitrogen is directed trans to the oxo group, while in the second isomer, 4b, the imino nitrogen of the NN ligand occupies the apical position trans to the oxo group and the pyridine type nitrogen completes the equatorial plane of the distorted octahedron. The [SNO][NN] mixed-ligand system was applied in the synthesis of the oxorhenium complex 5 in which the 1-(2-methoxyphenyl) piperazine moiety, a fragment of the true 5-HT1A antagonist WAY 100635, has been incorporated in the NN bidentate ligand (NN is N-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}pyridine-2-aldimine). In this case, high-performance liquid chromatography and NMR showed the existence of one isomer, 5, in which the pyridine nitrogen is trans to the oxo core, as demonstrated by crystal structure analysis.

  DOI：

  10.1021/ic0604260
• 作为产物：
  描述：

  N-(氯乙酰基)糖胶 、 硫代苯甲酸 、 氢氧化钾 、 盐酸 在 氩 作用下， 以 乙醇 为溶剂， 反应 2.38h， 以to leave N-(S-benzoylmercaptoacetyl)-glycine (m.p. 140.5°-141.5° C.)的产率得到benzoyl(mercaptoacetyl)glycine
  参考文献：
  名称：

  Hydrazino-type radionuclide chelators having an N.sub.3 S configuration

  摘要：

  放射性核素螯合化合物可用于与靶向分子如蛋白质、肽或抗体结合。所得的标记靶向分子可用于诊断和治疗。

  公开号：

  US05659041A1

文献信息

• HYDRAZINO-TYPE RADIONUCLIDE CHELATORS HAVING AN N 3?S CONFIGURATION
  申请人：RESOLUTION PHARMACEUTICALS INC.

  公开号：EP0710228B1

  公开（公告）日：1998-01-21
• IMMOBILIZED LABELLING METHOD
  申请人：RESOLUTION PHARMACEUTICALS INC.

  公开号：EP0730472A1

  公开（公告）日：1996-09-11
• US5659041A
  申请人：——

  公开号：US5659041A

  公开（公告）日：1997-08-19
• [EN] HYDRAZINO-TYPE RADIONUCLIDE CHELATORS HAVING AN N3S CONFIGURATION<br/>[FR] CHELATEURS DE RADIONUCLEIDES DE TYPE HYDRAZINO PRESENTANT UNE CONFIGURATION N3S
  申请人：RESOLUTION PHARMACEUTICALS INC.

  公开号：WO1995003280A1

  公开（公告）日：1995-02-02

  (EN) Radionuclide chelating compounds are provided for conjugation to targeting molecules such as proteins, peptides or antibodies. The resulting labelled targeting molecules may be used in diagnosis and therapy.(FR) L'invention concerne des composés de chélation des radionucléides utilisés pour la conjugaison avec des molécules de ciblage telles que des protéines, des peptides ou des anticorps. Les molécules de ciblage marquées résultantes peuvent être utilisées à des fins diagnostiques et thérapeutiques.
• [EN] IMMOBILIZED LABELLING METHOD<br/>[FR] PROCEDE DE MARQUAGE FIXE
  申请人：RESOLUTION PHARMACEUTICALS INC.

  公开号：WO1995013832A1

  公开（公告）日：1995-05-26

  (EN) Described is a process for labelling ligands with metals comprising the steps of covalently coupling the ligand to a solid support via a metal-cleavable linker; introducing a complex-forming metal to the support; and collecting the metal-ligand complex released from the support. The metal catalyzes cleavage of the ligand from the support upon complex formation resulting in a solution substantially free of unlabelled ligand.(FR) Procédé de marquage de ligands avec des métaux, consistant tout d'abord à établir une liaison de covalence entre le ligand et un support solide au moyen d'un agent de liaison pouvant être scindé par un métal; puis à introduire sur le support un métal complexant et enfin à recueillir le complexe métal-ligand libéré par le support. Le métal catalyse la scission entre le ligand et le support en formant un complexe et permet d'obtenir ainsi une solution principalement exempte de ligand non marqué.