10-isopropyl-9-methyl-2,3,6,7-tetrahydro-1H,5H,11H-chromeno<6,7,8-i,j>quinolizin-11-one | 118132-33-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 10-isopropyl-9-methyl-2,3,6,7-tetrahydro-1H,5H,11H-chromeno<6,7,8-i,j>quinolizin-11-one
• 英文别名: 6-Methyl-5-propan-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one
• CAS: 118132-33-5
• 化学式: C₁₉H₂₃NO₂
• 分子量: 297.397
• InChiKey: QMEJFPVTINKOOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  香豆素 102 、 2-碘代丙烷 在 三乙胺 作用下， 以 乙腈 为溶剂， 以20%的产率得到10-isopropyl-9-methyl-2,3,6,7-tetrahydro-1H,5H,11H-chromeno<6,7,8-i,j>quinolizin-11-one
  参考文献：
  名称：

  Photochemical reactions of 7-aminocoumarins. 6. Reaction of 7-dialkylaminocoumarins with halo derivatives

  摘要：

  DOI：

  10.1007/bf00480856

文献信息

• SYNTHETIC SUBSTRATES FOR ENZYMES THAT CATALYZE REACTIONS OF MODIFIED CYSTEINES AND RELATED METHODS
  申请人：The University of Chicago

  公开号：US20180147250A1

  公开（公告）日：2018-05-31

  Synthetic probes for detecting the activity of enzymes that catalyze reactions of post-translationally modified cysteine residues are described. The probes include “turn-on” probes that include a carbamate linkage that is cleaved via an intramolecular reaction with a free thiol produced by an enzyme catalyzed activity. The probes also include ratiometric, Michael addition-based probes that respond to enzymatic activity by a change in structure that results in a change in fluorescence properties. Methods of using the probes to detect enzymatic activity and disease are described. For example, the probes can be used to detect enzymatic activity in a variety of samples, including live cells and heterogeneous tissues. In addition, prodrugs that can be activated by enzymes that catalyze reactions of post-translationally modified cysteine residues and methods of using the prodrugs to treat disease are described.

  描述了用于检测催化后翻译修饰半胱氨酸残基反应活性的酶的合成探针。这些探针包括“开启”探针，其中包括通过酶催化活性产生的游离巯基进行分子内反应从而裂解的碳酸酯连接。这些探针还包括比例计量、基于迈克尔加成的探针，通过结构的变化响应酶活性，导致荧光特性的变化。描述了使用这些探针检测酶活性和疾病的方法。例如，这些探针可用于检测各种样本中的酶活性，包括活细胞和异质组织。此外，还描述了可以由催化催化后翻译修饰半胱氨酸残基反应的酶激活的前药和使用这些前药治疗疾病的方法。
• Synthetic substrates for enzymes that catalyze reactions of modified cysteines and related methods
  申请人：The University of Chicago

  公开号：US10413583B2

  公开（公告）日：2019-09-17

  Synthetic probes for detecting the activity of enzymes that catalyze reactions of post-translationally modified cysteine residues are described. The probes include “turn-on” probes that include a carbamate linkage that is cleaved via an intramolecular reaction with a free thiol produced by an enzyme catalyzed activity. The probes also include ratiometric, Michael addition-based probes that respond to enzymatic activity by a change in structure that results in a change in fluorescence properties. Methods of using the probes to detect enzymatic activity and disease are described. For example, the probes can be used to detect enzymatic activity in a variety of samples, including live cells and heterogeneous tissues. In addition, prodrugs that can be activated by enzymes that catalyze reactions of post-translationally modified cysteine residues and methods of using the prodrugs to treat disease are described.

  本文描述了用于检测酶活性的合成探针，这种酶催化翻译后修饰半胱氨酸残基的反应。这些探针包括 "接通 "探针，其中的氨基甲酸酯连接通过与酶催化活性产生的游离硫醇发生分子内反应而裂解。探针还包括基于迈克尔加成法的比率计探针，这种探针通过导致荧光特性变化的结构变化对酶活性做出反应。本文介绍了使用这些探针检测酶活性和疾病的方法。例如，探针可用于检测各种样本（包括活细胞和异质组织）中的酶活性。此外，还介绍了可被翻译后修饰的半胱氨酸残基催化反应的酶激活的原药以及使用原药治疗疾病的方法。
• Preparation of metal-pyridine derivative complexes for use in medical imaging
  申请人：University of Northumbria at Newcastle

  公开号：US11498936B2

  公开（公告）日：2022-11-15

  The present invention relates to methods of forming metal-pyridine derivative complexes using pericyclic reactions with metal-1,2,4-triazine derivative complexes and a dienophile as the reactants. The reactants are bioorthogonal and the methods are particularly useful in preparing imaging agents.

  本发明涉及以金属-1,2,4-三嗪衍生物络合物和亲二烯为反应物，利用周环反应形成金属-吡啶衍生物络合物的方法。反应物具有生物正交性，该方法尤其适用于制备成像剂。
• KIRPICHENOK, M. A.;MELNIKOVA, L. M.;DENISOV, L. K.;GRANDBERG, I. I., XIMIYA GETEROTSIKL. SOED.,(1990) N, S. 1028-1032
  作者：KIRPICHENOK, M. A.、MELNIKOVA, L. M.、DENISOV, L. K.、GRANDBERG, I. I.

  DOI：——

  日期：——
• PREPARATION OF METAL-PYRIDINE DERIVATIVE COMPLEXES FOR USE IN MEDICAL IMAGING
  申请人：University of Northumbria at Newcastle

  公开号：EP3724203B1

  公开（公告）日：2021-11-24