o-toluidine; phosphate | 62729-91-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: o-toluidine; phosphate
• 英文别名: o-Toluidin; Phosphat；Phosphoric acid--2-methylaniline (1/1)；2-methylaniline;phosphoric acid
• CAS: 62729-91-3
• 化学式: C₇H₉N*H₃O₄P
• 分子量: 205.15
• InChiKey: OPGIQPMZKPHROZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.65
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  104
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  o-toluidine; phosphate 、 苯胺 生成 邻甲苯胺 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Lewy, Chemische Berichte, 1886, vol. 19, p. 1718

  摘要：

  DOI：
• 作为产物：
  描述：

  邻甲苯胺 在 磷酸 作用下， 以 水 为溶剂， 生成 o-toluidine; phosphate
  参考文献：
  名称：

  Dominance of Charge-Assisted Hydrogen Bonding on Short Contacts and Structures that Crystallize with Z′ > 1

  摘要：

  An enantiotropic pair of polyrnorphs of (H-2-o-PDA(2+))(4)(H5O2+)(SO42)(4)(HSO4-)center dot 2H(2)O (1) interconvert at 140-142 K with a concomitant change in Z'. The details of the structural change are studied by single-crystal X-ray and neutron diffraction which shows that both forms are close packed with the difference resulting from the linearization of hydrogen bonds at low temperature as part of an extensive charge-assisted hydrogen-bonding network. The related (H-2-o-PDA(2+))(2)(SO42-)(2)center dot 3H(2)O (2) has also been characterized by single-crystal neutron diffraction and exhibits a disordered "flip-flop" water chain and short nonbonded O center dot center dot center dot O contacts enforced by NH3+center dot center dot center dot OSO32- hydrogen-bonded bridges. A total of seven other related salts have been isolated and structurally characterized revealing a surprisingly high incidence of Z' > 1 structures as a result of frustration in the charge-assisted hydrogen-bonded network.

  DOI：

  10.1021/cg200751m

文献信息

• Method for the detection and/or characterisation of circulating tumour cells and the use thereof in the early diagnosis, prognosis and diagnosis of relapses and in the selection and evaluation of therapeutic treatments
  申请人：Vendrell Jean-Pierre

  公开号：US20050079557A1

  公开（公告）日：2005-04-14

  The invention relates to a method for the detection and/or characterization of circulating tumour cells, in a biological sample from a patient suffering from solid cancer, which can release or secrete in vitro one or more tumour markers. The inventive method consists in: (i) depositing a known quantity of the aforementioned cells at the bottom of a culture surface to which at least one specific binding partner of the tumour marker(s) is fixed, (ii) cultivating said cells in conditions such that they release or secrete the aforementioned tumour markers which are immunocaptured at the bottom of the culture surface, (iii) eliminating the cells by washing, (iv) adding at least one specific labelled conjugate of said tumour markers, and (v) viewing the lablelling thus obtained. The invention also relates to the used of the inventive method in the early diagnosis and prognosis of the pathology, in the selection and evaluation of the effectiveness of therapeutic treatments and in the diagnosis of relapses in relation to solid cancers. Moreover, the invention related to diagnostic kits comprising a culture surface that has been coated with one or more binding partners of the specific tumour markers of the cancer being studied and the corresponding previously-labelled conjugate(s).

  本发明涉及一种检测和/或表征循环肿瘤细胞的方法，该循环肿瘤细胞来自实体瘤患者的生物样本，可在体外释放或分泌一种或多种肿瘤标志物。本发明的方法包括(i) 将已知数量的上述细胞沉积在培养表面的底部，在培养表面上固定至少一种肿瘤标记物的特异性结合伙伴；(ii) 在使上述细胞释放或分泌上述肿瘤标记物的条件下培养上述细胞，这些肿瘤标记物被免疫捕获在培养表面的底部；(iii) 通过洗涤清除细胞；(iv) 加入至少一种上述肿瘤标记物的特异性标记共轭物；(v) 观察由此获得的标记物。本发明还涉及将本发明方法用于早期诊断和病理预后、选择和评估治疗方法的有效性以及诊断实体癌的复发。此外，本发明还涉及诊断试剂盒，试剂盒的培养表面涂有一种或多种与所研究癌症的特异性肿瘤标志物结合的伴侣和相应的先前标记的共轭物。
• Raikow; Schtarbanow, Chemiker-Zeitung, Chemische Apparatur, 1901, vol. 25, p. 243
  作者：Raikow、Schtarbanow

  DOI：——

  日期：——
• PROCÉDÉ DE PRÉPARATION IN VITRO D'ÉQUIVALENTS DE PAPILLE DERMIQUE ET DE FOLLICULE PILEUX
  申请人：L'Oreal

  公开号：EP3704226A1

  公开（公告）日：2020-09-09
• Dominance of Charge-Assisted Hydrogen Bonding on Short Contacts and Structures that Crystallize with <i>Z</i>′ &gt; 1
  作者：Kirsty M. Anderson、Andrés E. Goeta、Jessica E. Martin、Sax A. Mason、Garry J. McIntyre、Benedict C. R. Sansam、Clive Wilkinson、Jonathan W. Steed

  DOI：10.1021/cg200751m

  日期：2011.11.2

  An enantiotropic pair of polyrnorphs of (H-2-o-PDA(2+))(4)(H5O2+)(SO42)(4)(HSO4-)center dot 2H(2)O (1) interconvert at 140-142 K with a concomitant change in Z'. The details of the structural change are studied by single-crystal X-ray and neutron diffraction which shows that both forms are close packed with the difference resulting from the linearization of hydrogen bonds at low temperature as part of an extensive charge-assisted hydrogen-bonding network. The related (H-2-o-PDA(2+))(2)(SO42-)(2)center dot 3H(2)O (2) has also been characterized by single-crystal neutron diffraction and exhibits a disordered "flip-flop" water chain and short nonbonded O center dot center dot center dot O contacts enforced by NH3+center dot center dot center dot OSO32- hydrogen-bonded bridges. A total of seven other related salts have been isolated and structurally characterized revealing a surprisingly high incidence of Z' > 1 structures as a result of frustration in the charge-assisted hydrogen-bonded network.
• Lewy, Chemische Berichte, 1886, vol. 19, p. 1718
  作者：Lewy

  DOI：——

  日期：——