2-hydroxy-1,1,3,3-tetramethylisoindoline | 104653-73-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-hydroxy-1,1,3,3-tetramethylisoindoline
• 英文别名: 2-hydroxy-1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindole；2-Hydroxy-1,1,3,3-tetramethyl-1,3-dihydroisoindoline；N-hydroxy-1,1,3,3-tetramethyl-1,3-dihydroisoindole；2-hydroxy-1,1,3,3-tetramethylisoindole
• CAS: 104653-73-8
• 化学式: C₁₂H₁₇NO
• 分子量: 191.273
• InChiKey: YLUNMWQQDYDAJP-UHFFFAOYSA-N

物化性质

• 沸点：
  286.7±30.0 °C(Predicted)
• 密度：
  1.042±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-hydroxy-1,1,3,3-tetramethylisoindoline 在 sodium hydride 、 [双(三氟乙酰氧基)碘]苯 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 19.0h， 生成 1-methyl-2-{[(1,1,3,3-tetramethyl-1,3-dihydro-2H-isoindol-2-yl)oxy]methyl}-1H-benzimidazole-4,7-dione
  参考文献：
  名称：

  1,1,3,3-Tetramethylisoindolin-2-yloxyl (TMIO) 的可见光活化苯并咪唑醌烷氧基胺

  摘要：

  通过使用动力学实验、UV-Vis 光谱和 DFT 衍生参数合理化了 TMIO 烷氧基胺的首次室温解离。可见光激活为自然的生物还原激活提供了一种良性的替代方案，可用于产生潜在的化学治疗性醌甲基化物。

  DOI：

  10.1002/ejoc.202101183
• 作为产物：
  描述：

  1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-2-yloxoyl radical 在 platinum(IV) oxide 、 氢气 作用下， 以 二氯甲烷 为溶剂， 20.0 ℃ 、101.32 kPa 条件下， 生成 2-hydroxy-1,1,3,3-tetramethylisoindoline
  参考文献：
  名称：

  氮氧化物对烯烃的反应性

  摘要：

  在升高的温度下，氮氧化物（例如1,1,3,3-四甲基-2,3-二氢异吲哚-2-基氧基）与丙烯腈，丙烯酸甲酯和苯乙烯进行缓慢的加成反应，得到双-硝基氧加合物。对于含有烯丙基氢的烯烃，例如甲基丙烯酸甲酯和6-亚甲基-1,4-氧杂泛-7-一，观察到的主要反应是夺氢。所得的羟胺可被捕获为迈克尔加成产物。

  DOI：

  10.1016/s0040-4039(00)00440-8

文献信息

• Drug Resistance Reversal In Neoplastic Disease
  申请人：Patil Ghanshyam

  公开号：US20080200405A1

  公开（公告）日：2008-08-21

  The present invention is directed to compounds, compositions, and methods for halting or reversing the effects of chemoresistance in neoplastic diseases. In particular the use of hydroxylamines is described.

  本发明涉及用于阻止或逆转肿瘤性疾病化疗耐药效应的化合物、组合物和方法。具体描述了羟胺的使用。
• Nitric oxide enhancing diuretic compounds, compositions and methods of use
  申请人：Garvey S. David

  公开号：US20060189603A1

  公开（公告）日：2006-08-24

  The invention describes novel compositions and kits comprising at least one nitric oxide enhancing diuretic compound, or pharmaceutically acceptable salts thereof, and, optionally, at least one nitric oxide enhancing compound and/or at least one therapeutic agent. The invention also provides methods for (a) treating conditions resulting from excessive water and/or electrolyte retention; (b) treating cardiovascular diseases; (c) treating renovascular diseases; (d) treating diabetes; (e) treating diseases resulting from oxidative stress; (f) treating endothelial dysfunctions; (g) treating diseases caused by endothelial dysfunctions; (h) treating cirrhosis; (j) treating pre-eclampsia; (k) treating osteoporosis; (l) treating nephropathy; (m) treating peripheral vascular diseases; (n) treating portal hypertension; (o) treating central nervous system disorders; (p) treating metabolic syndrome; (q) treating sexual dysfunctions; and (r) hyperlipidemia. The nitric oxide enhancing diuretic compounds comprise at least one nitric oxide enhancing group linked to the diuretic compound through one or more sites such as carbon, oxygen and/or nitrogen via a bond or moiety that cannot be hydrolyzed.

  该发明描述了包含至少一种增强一氧化氮利尿化合物或其药用盐的新型组合物和试剂盒，以及可选地，至少一种增强一氧化氮化合物和/或至少一种治疗剂的试剂盒。该发明还提供了以下方法：(a)治疗由过多水分和/或电解贮留引起的症状；(b)治疗心血管疾病；(c)治疗肾血管疾病；(d)治疗糖尿病；(e)治疗由氧化应激引起的疾病；(f)治疗内皮功能障碍；(g)治疗由内皮功能障碍引起的疾病；(h)治疗肝硬化；(j)治疗子痫前期；(k)治疗骨质疏松症；(l)治疗肾病；(m)治疗外周血管疾病；(n)治疗门静脉高压；(o)治疗中枢神经系统疾病；(p)治疗代谢综合征；(q)治疗性功能障碍；以及(r)高脂血症。增强一氧化氮利尿化合物包括至少一种增强一氧化氮基团，通过碳、氧和/或氮等一个或多个位点与利尿化合物连接，连接通过不能水解的键或基团。
• TARGETED NITROXIDE AGENTS
  申请人：Wipf Peter

  公开号：US20100035869A1

  公开（公告）日：2010-02-11

  Provided herein are compositions and related methods useful for free radical scavenging, with particular selectivity for mitochondria. The compounds comprise a nitroxide-containing group attached to a mitochondria-targeting group. The compounds can be cross-linked into dimers without loss of activity. Also provided herein are methods, for preventing, mitigating and treating damage caused by radiation. The method comprises delivering a compound, as described herein, to a patient in an amount and dosage regimen effective to prevent, mitigate or treat damage caused by radiation.

  本文提供了一种对自由基清除有用的组合物和相关方法，具有特定选择性作用于线粒体。这些化合物包括一个连接到线粒体靶向基团的亚硝基含有基团。这些化合物可以交联成二聚体而不丧失活性。本文还提供了一种用于预防、缓解和治疗辐射引起的损伤的方法。该方法包括向患者输送一种如本文所述的化合物，以有效地预防、缓解或治疗辐射引起的损伤。
• INTRAESOPHAGEAL ADMINISTRATION OF TARGETED NITROXIDE AGENTS FOR PROTECTION AGAINST IONIZING IRRADIATION-INDUCED ESOPHAGITIS
  申请人：University of Pittsburgh - Of the Commonwealth System of Higher Education

  公开号：US20190210969A1

  公开（公告）日：2019-07-11

  Provided herein are compositions and related methods useful for prevention or mitigation of ionizing radiation-induced esophagitis. The compositions comprise compounds comprising a nitroxide-containing group attached to a mitochondria-targeting group. The compounds can be cross-linked into dimers without loss of activity. The method comprises delivering a compound, as described herein, to a patient in an amount and dosage regimen effective to prevent or mitigate esophageal damage caused by radiation.

  本文提供了一种用于预防或缓解电离辐射诱导的食管炎的组合物和相关方法。这些组合物包括含有与线粒体靶向基团相连的亚硝基含有基团的化合物。这些化合物可以交联成二聚体而不丧失活性。该方法包括向患者输送本文所述的化合物，以有效预防或缓解由辐射引起的食道损伤。
• Hydroxylamine esters as polymerization initiators
  申请人：——

  公开号：US20030216494A1

  公开（公告）日：2003-11-20

  The invention relates to novel cyclic and open-chain hydroxylamine esters and polymerizable compositions comprising these hydroxylamine esters and an ethylenically unsaturated monomer or oligomer. The invention also relates to use as polymerization initiators and to the use of known hydroxylamine esters selected from the group consisting of HALS compounds and the novel hydroxylamine esters for the controlled degradation of polypropylene and for achieving a controlled increase in the molecular weight of polyethylene.

  该发明涉及新型环状和开链羟胺酯以及包括这些羟胺酯和乙烯基不饱和单体或寡聚物的可聚合组合物。该发明还涉及用作聚合引发剂以及用于控制聚丙烯降解和实现聚乙烯分子量控制增加的已知羟胺酯，所述羟胺酯来自HALS化合物和新颖羟胺酯的组合。