1-羟基-2,2,5,5-四甲基吡咯-3-羧酸 | 111930-19-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 中文名称: 1-羟基-2,2,5,5-四甲基吡咯-3-羧酸
• 英文名称: 3-carboxy-2,5-dihydro-2,2,5,5-tetramethylpyrrol-1-yloxy
• 英文别名: 2,2,5,5-tetramethyl-2,5-dihydropyrrole-1-oxy-3-carboxylic acid；1-hydroxy-2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-carboxylate
• CAS: 111930-19-9
• 化学式: C₉H₁₅NO₃
• mdl: MFCD00278419
• 分子量: 185.223
• InChiKey: SADYUZSTFFUBBP-UHFFFAOYSA-N

物化性质

• 熔点：
  >140°C (dec.)
• 溶解度：
  可溶于氯仿、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  60.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-羟基-2,2,5,5-四甲基吡咯-3-羧酸 在 吡啶 、 氯化亚砜 作用下， 反应 2.0h， 生成 1-<(3,5-di-tert-butyl-4-hydroxyphenyl)(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dienylidene)methyl>-2-<(2,5-dihydro-2,2,5,5-tetramethylpyrrol-1-yloxy-3-yl)(carbonyloxy)>benzene
  参考文献：
  名称：

  ESR and ENDOR investigations of spin exchange in mixed galvinoxyl/nitroxide biradicals. Syntheses

  摘要：

  DOI：

  10.1021/ja00378a013

文献信息

• Alicyclic-amine-substituted 4-carboxamido-benzimidazoles as parp-inhibitors and antioxidants
  申请人：Hideg Kalman

  公开号：US20070072912A1

  公开（公告）日：2007-03-29

  Compounds of the formula (I) and their pharmaceutically acceptable or technically applicable acid salts—where in the formula R 1 represents hydrogen, C (1-4) alkyl or C (1-4) alkoxy R 2 represents hydrogen, C (1-4) alkyl, carboxyl, C (1-4) alkoxycarbonyl, carboxamido, aryl or hetero-aryl R 3 represents hydrogen, C (1-4) alkyl, aryl-methylene, or aryl, Y is a valency bond, a straight or branched chain C (1-4) alkene, a carbonyl-amino-C (1-4) alkene, or a —S—(CH 2 ) m — group, where all alkene groups above may be spaced by an arylene group, n represents zero or the integer 1 m represents the integer 1, 2 or 3 Q represents hydrogen, hydroxyl or the oxygen radical (0) or together with the N atom of the adjacent ring forms a +N=O (oxoimmonium) group Z represents a single or double bond and their pharmaceutically acceptable or technically useful salts, processes for their preparation and their biological use as PARP inhibitors and antioxidants.

  公式（I）的化合物及其药学上可接受或技术上适用的酸盐——其中在公式中，R1代表氢，C（1-4）烷基或C（1-4）烷氧基；R2代表氢，C（1-4）烷基，羧基，C（1-4）烷氧羰基，羧酰胺基，芳基或杂环芳基；R3代表氢，C（1-4）烷基，芳基-亚甲基或芳基；Y是一个价键，一条直链或支链C（1-4）烯烃，一个羰基-氨基-C（1-4）烯烃，或一个—S—（CH2）m—基团，其中上述所有烯烃基团可以由一个芳基基团间隔；n代表零或整数1；m代表整数1、2或3；Q代表氢，羟基或氧基（0）或与相邻环的N原子一起形成+ N = O（氧代亚氨基）基团；Z代表单键或双键及其药学上可接受或技术上有用的盐，制备它们的过程以及它们作为PARP抑制剂和抗氧化剂的生物学用途。
• STEROIDAL ANTI-HORMONE HYBRIDS
  申请人：Hanson Robert N.

  公开号：US20120046461A1

  公开（公告）日：2012-02-23

  Disclosed are novel compounds and compositions for inhibition of androgen and estrogen receptor signaling, methods for inhibiting androgen signaling, methods for inhibiting estrogen signaling, methods for inhibiting the interaction between a co-regulatory protein and an androgen or estrogen receptor, and methods for treating cancer.

  本发明涉及一种新型化合物和组合物，用于抑制雄激素和雌激素受体信号传导，抑制雄激素信号的方法，抑制雌激素信号的方法，抑制共同调节蛋白与雄激素或雌激素受体的相互作用的方法，以及用于治疗癌症的方法。
• DINITROXIDE BIRADICAL COMPOUNDS AS POLARIZING AGENTS
  申请人：Commissariat à l'Energie Atomique et aux Energies Alternatives

  公开号：EP3424921A1

  公开（公告）日：2019-01-09

  The present invention relates to novel organic dinitroxide biradical compounds and their use as polarizing agents, in particular, in the techniques of Nuclear Magnetic Resonance (NMR) of solids or liquid samples and medical imaging.

  本发明涉及新型有机二亚硝基双烷基化合物及其作为极化剂的用途，特别是在固体或液体样品的核磁共振（NMR）和医学成像技术中的用途。
• Nitroxide containing amyloid binding agents for imaging and therapeutic uses
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US10881748B2

  公开（公告）日：2021-01-05

  The present invention provides methods of using nitroxide spin-labeled amyloid beta-binding compounds to image amyloid. The present invention also provides nitroxide spin-labeled amyloid beta-binding compounds.

  本发明提供了使用亚硝基自旋标记的淀粉样蛋白 beta 结合化合物对淀粉样蛋白成像的方法。本发明还提供了亚硝基自旋标记的淀粉样 beta 结合化合物。
• Efficient curative for free radically-crosslinkable polymers
  申请人：Arkema Inc.

  公开号：US11203672B2

  公开（公告）日：2021-12-21

  An organic peroxide composition is provided which is liquid or near liquid at 25° C. or a low melting solid and which includes at least one ethylenically unsaturated organic peroxide (i.e., an organic peroxide containing at least one carbon-carbon double bond) and at least one saturated organic peroxide. The organic peroxide composition may further include at least one mono- and/or poly-unsaturated compound and at least one free-radical trap. The organic peroxide can be blended into a polymer such as a powdered or granular polyethylene resin. This peroxide-containing polymer can be used in rotational molding, wherein the polymer is added to a mold which is heated in an oven with rotation, thereby melting the polymer and coating the inside of the mold.

  本发明提供了一种有机过氧化物组合物，其在25℃下为液体或近似液体，或为低熔点固体。该组合物包含至少一种乙烯基不饱和有机过氧化物(即，包含至少一个碳-碳双键的有机过氧化物)，以及至少一种饱和有机过氧化物。所述有机过氧化物组合物还可包含至少一种单不饱和和/或 poly-unsaturated 化合物，以及至少一种自由基捕获剂。此有机过氧化物可被混入一聚合物中，例如粉状或粒状的聚乙烯树脂。该含过氧化物的聚合物可用作旋转成形之用，其中聚合物加入一模具中，所述模具在旋转下加热于一烤箱中，从而使聚合物熔化并涂布于模具内部。