2-thiocyanatobenzoic acid | 16671-86-6

• 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: 2-thiocyanatobenzoic acid
• 英文别名: acido 2-tiocianobenzoico；2-thiocyanobenzoic acid；2-Rhodan-benzoesaeure；2-Thiocyanato-benzoesaeure；Benzoic acid, 2-thiocyanato-
• CAS: 16671-86-6
• 化学式: C₈H₅NO₂S
• 分子量: 179.199
• InChiKey: KRAFHNPGRHNJAR-UHFFFAOYSA-N

物化性质

• 熔点：
  154-155 °C
• 沸点：
  335.2±25.0 °C(Predicted)
• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  86.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-thiocyanatobenzoic acid 在 sodium sulfide 作用下， 生成 硫代水杨酸
  参考文献：
  名称：

  Friedlaender, Chemische Berichte, 1906, vol. 39, p. 1062

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 sodium carbonate 作用下， 生成 2-thiocyanatobenzoic acid
  参考文献：
  名称：

  Bezdzik; Friedlaender; Koeniger, Chemische Berichte, 1908, vol. 41, p. 233

  摘要：

  DOI：

文献信息

• DNA Alkylation by leinamycin can be triggered by cyanide and phosphines
  作者：Hong Zang、Leonid Breydo、Kaushik Mitra、Jeffrey Dannaldson、Kent S. Gates

  DOI：10.1016/s0960-894x(01)00196-2

  日期：2001.6

  Previous work has shown that alkylation of DNA by the antitumor agent leinamycin (1) is potentiated by reaction of the antibiotic with thiols. Here, it is shown that other soft nucleophiles such as cyanide and phosphines can also trigger DNA alkylation by leinamycin. Overall, the results suggest that reactions of cyanide and phosphines with leinamycin produce the oxathiolanone intermediate (2), which

  先前的工作表明，抗肿瘤药莱那霉素（1）可使DNA烷基化通过抗生素与硫醇的反应而增强。在此显示，其他软亲核试剂（如氰化物和膦）也可以通过莱那霉素引发DNA烷基化。总体而言，结果表明氰化物和膦与莱那霉素的反应产生了氧杂硫杂环戊烷中间体（2），该中间体已知会重排至DNA烷基化的epi硫离子4。
• Benzothiazinone derivatives
  申请人：SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V.

  公开号：EP0245902A2

  公开（公告）日：1987-11-19

  The invention provides fungicidal compositions containing benzothiazinone derivatives of formula:- wherein X is O, S or NH; R2 represents a hydrogen atom or an alkyl group and R, represents an optionally substituted alkyl, alkenyl, heterocyclic, or aryl group; certain novel benzothiazinone compounds, a process for the preparation of such compounds and a method of combating plant pathogenic fungi using such compositions or compounds.

  本发明提供了含式为：- 的苯并噻嗪酮衍生物的杀菌组合物。 其中X为O、S或NH；R2代表氢原子或烷基，R，代表任选取代的烷基、烯基、杂环基或芳基；某些新型苯并噻嗪酮化合物、制备此类化合物的工艺以及使用此类组合物或化合物防治植物病原真菌的方法。
• NOVEL DOPAMINE D3 RECEPTOR LIGANDS, THE PREPARATION AND USE THEREOF
  申请人：Institute Of Pharmacology And Toxicology Academy Of Military Medical Sciences P.L.A. China

  公开号：EP2354136A1

  公开（公告）日：2011-08-10

  The invention discloses novel piperazine derivatives represented by formula I having activity for modulating dopamine D3 receptor, their stereoisomers, pharmaceutical salts, solvates, and the pharmaceutical compositions containing such compounds, their preparation and the use of such compounds for preventing or treating the diseases correlated with central nervous system disorder, such as Parkinson's disease, schizophrenia, drug addiction and relapse and the like, as well as the use of such compounds for kidney protection and immune modulation, or as implemental medicine for researching the function of D3R and the diseases correlated with disorder of D3R function.

  本发明公开了具有调节多巴胺 D3 受体活性的式 I 所代表的新型哌嗪衍生物、它们的立体异构体、药用盐、溶解物以及含有此类化合物的药物组合物、它们的制备方法以及此类化合物在预防或治疗与中枢神经系统紊乱有关的疾病方面的用途、如帕金森病、精神分裂症、药物成瘾和复发等，以及将此类化合物用于肾脏保护和免疫调节，或作为研究 D3R 功能和与 D3R 功能紊乱相关疾病的实施药物。
• Chimeric proteins and methods of immunotherapy
  申请人：The Board of Trustees of the Leland Stanford Junior University

  公开号：US10336807B2

  公开（公告）日：2019-07-02

  The present disclosure provides systems for immune cell regulation and methods of immunotherapy. Systems of the present disclosure for immune cell regulation comprise a chimeric receptor polypeptide, a chimeric adaptor polypeptide, a gene modulating polypeptide (GMP), and a cleavage moiety.

  本公开提供了免疫细胞调节系统和免疫疗法方法。本公开的免疫细胞调节系统包括嵌合受体多肽、嵌合适配体多肽、基因调控多肽（GMP）和裂解分子。
• Chimeric proteins and methods of regulating gene expression
  申请人：The Board of Trustees of the Leland Stanford Junior University

  公开号：US10457961B2

  公开（公告）日：2019-10-29

  The present disclosure provides systems, compositions and methods for regulating expression of a target polynucleotide in a cell. The systems, compositions and methods comprise a chimeric receptor polypeptide comprising a G-protein coupled receptor (GPCR) or a fragment thereof, a chimeric adaptor polypeptide, at least one actuator moiety and a cleavage moiety.

  本公开提供了调节细胞中目标多核苷酸表达的系统、组合物和方法。这些系统、组合物和方法包括由 G 蛋白偶联受体（GPCR）或其片段组成的嵌合受体多肽、嵌合适配体多肽、至少一个致动器分子和一个裂解分子。