1,2,5-噻二唑-3-醇 | 5728-07-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1,2,5-噻二唑-3-醇
• 英文名称: 1,2,5-thiadiazol-3(2H)-one
• 英文别名: 3-oxo-2,3-dihydro-1,2,5-thiadiazole；1,2,5-Thiadiazol-3-ol；1,2,5-thiadiazol-3-one
• CAS: 5728-07-4
• 化学式: C₂H₂N₂OS
• mdl: MFCD09383884
• 分子量: 102.117
• InChiKey: MUHCEAIVGKVBHE-UHFFFAOYSA-N

物化性质

• 熔点：
  128.5-130 °C(Solv: benzene (71-43-2); benzene (71-43-2); ligroine (8032-32-4))
• 密度：
  1.79±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  6
• 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：
  66.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  1,2,5-噻二唑-3-醇 在 三氯氧磷 作用下， 生成 3-氯-1,2,5-噻二唑
  参考文献：
  名称：

  General synthetic system for 1,2,5-thiadiazoles

  摘要：

  DOI：

  10.1021/jo01284a040
• 作为产物：
  描述：

  甘氨酰胺 在 二氯化二硫 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1,2,5-噻二唑-3-醇
  参考文献：
  名称：

  General synthetic system for 1,2,5-thiadiazoles

  摘要：

  DOI：

  10.1021/jo01284a040

文献信息

• Novel 11-desoxy-prostaglandin F.sub.2 derivatives
  申请人：Roussel Uclaf

  公开号：US04119727A1

  公开（公告）日：1978-10-10

  Novel 11-desoxy-prostaglandin F.sub.2 derivatives of the formula ##STR1## wherein R is selected from the group consisting of hydrogen, alkyl of 1 to 4 carbon atoms, an alkali metal, an equivalent of an alkaline earth metal, magnesium or organic amine base, R.sub.1 and R.sub.2 are individually seleced from the group consisting of hydrogen and methyl and X is selected from the group consisting of ##STR2## and a 5 to 6 membered heterocycle optionally substituted with at least one member of the group consisting of halogen, --CN and alkyl of 1 to 5 carbon atoms and X.sup.1 is a 6 member heterocycle with the wavy lines indicating that the hydroxy may be in either one of the two possible .alpha. and .beta. positions having hypotensive activity and process for their preparation.

  11-去氧前列腺素F.sub.2的衍生物的新颖结构式如下：其中R从氢、1至4个碳原子的烷基、碱金属、碱土金属的等效物、镁或有机胺基中选择，R.sub.1和R.sub.2分别从氢和甲基中选择，X从##STR2##和一个5至6成员杂环中选择，该杂环可以选择至少一个卤素、--CN和1至5个碳原子的烷基中的一种进行取代，X.sup.1是一个6成员杂环，其中波浪线表示羟基可能位于两种可能的.alpha.和.beta.位置中的任意一种，具有降压活性，并且具有其制备方法。
• [EN] STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING<br/>[FR] COMPOSÉS MODULATEURS DE STING, ET PROCÉDÉS DE FABRICATION ET D'UTILISATION
  申请人：TAKEDA PHARMACEUTICALS CO

  公开号：WO2019092660A1

  公开（公告）日：2019-05-16

  The present disclosure provides STING modulators/agonists, and methods of synthesis and methods for using for the prophylaxis or treatment of cancer and other STING-related diseases. The present disclosure relates to a compound represented by the Formula (I): wherein each symbol is as defined in the description, or a pharmaceutically acceptable salt thereof.

  本公开提供STING调节剂/激动剂，以及合成方法和用于预防或治疗癌症和其他STING相关疾病的方法。本公开涉及由式(I)表示的化合物：其中每个符号如描述中定义，或其药用可接受盐。
• Oxazolidinone derivatives, process for their preparation and pharmaceutical compositions containing them
  申请人：Syngenta Limited

  公开号：US20030144263A1

  公开（公告）日：2003-07-31

  Compounds of the formula (I), or a pharmaceutically-acceptable salt, or an in-vivo-hydrolysable ester thereof, 1 wherein, for example, X is —O— or —S—; HET is an optionally substituted C-linked 5-membered heteroaryl ring containing 2 to 4 heteroatoms independently selected from N, O and S; Q is selected from, for example, Q1 and Q2 2 R 2 and R 3 are independently hydrogen or fluoro; T is selected from a range of groups, for example, an N-linked (fully unsaturated) 5-membered heteroaryl ring system or a group of formula (TC5): 3 wherein Rc is, for example, R 13 CO—, R 13 SO 2 — or R 13 CS—; wherein R 13 is, for example, optionally substituted (1-10C)alkyl or R 14 C(O)O(1-6C)alkyl wherein R 14 is optionally substituted (1-10C)alkyl; are useful as antibacterial agents; and processes for their manufacture and pharmaceutical compositions containing them are described.

  式(I)的化合物，或其药学上可接受的盐，或其体内可水解的酯， 其中，例如，X为—O—或—S—； HET是一个可选择的取代的C-连接的含有2到4个异原子（独立选择自N、O和S）的5元杂芳环； Q从Q1和Q2中选择 R2和R3独立地为氢或氟； T从一系列基团中选择，例如，一个N-连接的（完全不饱和的）5元杂芳环系统或式(TC5)的基团： 其中Rc是，例如，R13CO—，R13SO2—或R13CS—； 其中R13是，例如，可选择的取代的(1-10C)烷基或R14C(O)O(1-6C)烷基 其中R14是可选择的取代的(1-10C)烷基；这些化合物可用作抗菌剂；并描述了其制备方法和含有它们的药物组合物。
• [EN] DERIVATIVES OF 4- (IMIDAZOL-5-YL)-2-(4-SULFOANILINO) PYRIMIDINE WITH CDK INHIBITORY ACTIVITY<br/>[FR] DERIVES DE 4- (IMIDAZOL-5-YL)-2-(4-SULFOANILINO) PYRIMIDINE A ACTIVITE INHIBITRICE CDK
  申请人：ASTRAZENECA AB

  公开号：WO2003076436A1

  公开（公告）日：2003-09-18

  Compounds of the formula (I): wherein R1, R2, R3, R4, R5 and p are as defined within and a pharmaceutically acceptable salts and in vivo hydrolysable esters are described. Also described are processes for their preparation and their use as medicaments, particularly medicaments for producing a cell cycle inhibitory (anti-cell-proliferation) effect in a warm-blooded animal, such as man.

  公式（I）的化合物：其中R1、R2、R3、R4、R5和p的定义如下，并且描述了药学上可接受的盐和体内可水解酯。还描述了它们的制备过程以及它们作为药物的用途，特别是作为用于在温血动物（如人）中产生细胞周期抑制（抗细胞增殖）效果的药物。
• Imidazolo-5-YL-2anilino-pyrimidines as agents for the inhibition of the cell proliffration
  申请人：——

  公开号：US20040014776A1

  公开（公告）日：2004-01-22

  Compounds of the formula (I): wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , p, q, and n are as defined within and a pharmaceutically acceptable salts and in vivo hydrolysable esters are described. Also described are processes for their preparation and their use as medicaments, particularly medicaments for producing a cell cycle inhibitory (anti-cell-proliferation) effect in a warm-blooded animal, such as man.

  该公式化合物（I）：其中R1、R2、R3、R4、R5、R6、p、q和n的定义如下，并描述了其药用盐和体内可水解酯。还描述了它们的制备过程以及它们作为药物的用途，特别是作为用于在温血动物（如人）中产生细胞周期抑制（抗细胞增殖）作用的药物。