2,3-二甲基-5-苯基苯并恶唑(硫酸甲酯盐) | 13504-89-7

• 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
• 中文名称: 2,3-二甲基-5-苯基苯并恶唑(硫酸甲酯盐)
• 英文名称: (S)-(O)-Ts-Tyr-OH
• 英文别名: O-(toluene-4-sulfonyl)-L-tyrosine；O-(Toluol-4-sulfonyl)-L-tyrosin；O-(Toluol-sulfonyl-(4))-L-tyrosin；H-Tyr(tos)-OH.acetate；(2S)-2-amino-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid
• CAS: 13504-89-7
• 化学式: C₁₆H₁₇NO₅S
• 分子量: 335.381
• InChiKey: ATXDONQDDITMNX-HNNXBMFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 海关编码：
  2922509090

反应信息

• 作为反应物：
  描述：

  2,3-二甲基-5-苯基苯并恶唑(硫酸甲酯盐) 在 三乙烯二胺 、 copper acetylacetonate 、 草酰氯 、 sodium hydroxide 作用下， 以 乙醚 、 二氯甲烷 、 水 为溶剂， 反应 7.0h， 生成 (1S,3S,5S,6S)-ethyl 4-oxo-2-tosyl-3-(4-(tosyloxy)benzyl)-2-azabicyclo[3.1.0]hexane-6-carboxylate
  参考文献：
  名称：

  Stereoselective synthesis and applications of nitrogen substituted donor–acceptor cyclopropanes (N-DACs) in the divergent synthesis of azacycles

  摘要：

  开发了一种新型的高立体选择性分子内烯丙基氨基甲酸酯与卡宾的环丙烷化反应，以Cu(acac)2为催化剂，用于构建环丙烷吡咯烷酮。通过简单的硅胶处理，可将N-DAC的顺式异构体转化为反式异构体。这两种受体取代的N-DAC的环丙烷键的区域选择性断裂，产生了一系列多样性的氮杂环化合物。

  DOI：

  10.1039/c2ob06591f
• 作为产物：
  描述：

  L-酪氨酸甲酯 在 盐酸 、 sodium hydroxide 、 氯仿 、 sodium carbonate 、 溶剂黄146 、 丙酮 作用下， 生成 2,3-二甲基-5-苯基苯并恶唑(硫酸甲酯盐)
  参考文献：
  名称：

  O-p-Toluenesulfonyl-L-tyrosine, Its N-Acetyl and N-Benzoyl Derivatives

  摘要：

  DOI：

  10.1021/ja01123a513

文献信息

• [EN] DISCRETE PEG CONSTRUCTS<br/>[FR] CONSTRUCTIONS DE PEG DISCRÈTES
  申请人：EQUIP LLC

  公开号：WO2015023979A1

  公开（公告）日：2015-02-19

  Disclosed are linear discrete PEG constructs, which can be created and produced in a precise and reproducible way. Key to being able to do these things, where x in the discrete PEGX can vary from about 2 to about 64, is that the processes used to make each linear portion is controlled to give essentially one oligomer/one compound. Having a variable length linear discrete PEG construct that is (a) primarily an linear discrete PEG construct with diagnostic or therapeutic groups attached along a chain of attachment cores, which is attached to a preferential locator; (b) is an m-discrete PEG as the terminal construct on the linear portion, and "hidden"; (c) or linear discrete PEG with a terminus group that can be either negatively or positively charged, or neutral; and any of the discrete PEG portions can be designed to be cleaved after entering the cell.

  披露了线性离散PEG构造，可以以精确和可重复的方式创建和生产。能够做到这些的关键是，离散PEGX中的x可以在大约2到大约64之间变化，用于制造每个线性部分的过程被控制，以基本上提供一个寡聚体/一个化合物。具有可变长度的线性离散PEG构造，(a) 主要是具有连接诊断或治疗基团的沿着附着核心链附着的线性离散PEG构造，附着在优选定位器上; (b) 是线性部分上的末端构造的m-离散PEG，并且“隐藏”; (c) 或线性离散PEG，带有可以是负电荷、正电荷或中性的终端基团; 任何离散PEG部分都可以设计为进入细胞后被切割。
• Metal-Free N-H/C-H Coupling for Efficient Asymmetric Synthesis of Chiral Dihydroquinoxalinones from Readily Available α-Amino Acids
  作者：Kyalo Stephen Kanyiva、Masashi Horiuchi、Takanori Shibata

  DOI：10.1002/ejoc.201800012

  日期：2018.2.28

  The synthesis of dihydroquinoxalinones via intramolecular N–H/C–H coupling using hypervalent iodine from inexpensive and readily available aniline and amino acid derivatives was developed. Many functional groups were tolerated to give various dihydroquinoxalinones in moderate to excellent yields. The chirality of the amino acid was transferred to the desired target compound without loss of enantiomeric

  已开发了通过分子内N–H / C–H偶联使用高价碘从廉价且容易获得的苯胺和氨基酸衍生物合成二氢喹喔啉酮的方法。容许许多官能团以中等至优异的产率产生各种二氢喹喔啉酮。氨基酸的手性被转移到所需的目标化合物上，而对映体过量没有损失。
• Serine peptidase modulators
  申请人：——

  公开号：US20020061839A1

  公开（公告）日：2002-05-23

  The present invention relates to new compounds having modulatory (inhibitory and stimulatory) activity on serine peptidases and proteases in general and dipeptidyl peptidase IV, prolyl oligopeptidase (PO), dipeptidyl peptidase II (DPP II), fibroblast activation protein &agr; (FAP&agr;), lysosomal Pro—X carboxypeptidase and elastase in particular. These new compounds can be used for the treatment of a variety of disease states in which these peptidases are involved.

  本发明涉及一种对丝氨酸蛋白酶和蛋白酶（包括二肽基肽酶IV、脯氨酰寡肽酶（PO）、二肽基肽酶II（DPP II）、成纤维细胞活化蛋白α（FAPα）、溶酶体Pro-X羧肽酶和弹性蛋白酶）具有调节（抑制和刺激）活性的新化合物。这些新化合物可用于治疗各种与这些肽酶有关的疾病状态。
• Discrete PEG constructs
  申请人：EquIP, LLC

  公开号：US10786497B2

  公开（公告）日：2020-09-29

  Disclosed are linear discrete PEG constructs, which can be created and produced in a precise and reproducible way. Key to being able to do these things, where x in the discrete PEGx can vary from about 2 to about 64, is that the processes used to make each linear portion is controlled to give essentially one oligomer/one compound. Having a variable length linear discrete PEG construct that is (a) primarily an linear discrete PEG construct with diagnostic or therapeutic groups attached along a chain of attachment cores, which is attached to a preferential locator; (b) is an m-discrete PEG as the terminal construct on the linear portion, and “hidden”; (c or linear discrete PEG with a terminus group that can be either negatively or positively charged, or neutral; and any of the discrete PEG portions can be designed to be cleaved after entering the cell.

  所公开的是线性离散 PEG 构合物，可以精确和可重复的方式创建和生产。离散 PEGx 中的 x 可以在约 2 到约 64 之间变化，能够做到这一点的关键在于控制用于制造每个线性部分的工艺，以便基本上得到一种低聚物/一种化合物。长度可变的线性离散 PEG 构建物(a)主要是线性离散 PEG 构建物，沿连接核链连接有诊断或治疗基团，连接到优先定位器上；(b)是线性部分上的末端构建物 m-离散 PEG，并且 "隐藏 "起来；(c)或线性离散 PEG，其末端基团可以带负电或正电，也可以带中性；任何离散 PEG 部分都可以设计成在进入细胞后被裂解。
• Fischer,E., Chemische Berichte, 1915, vol. 48, p. 98
  作者：Fischer,E.

  DOI：——

  日期：——