2,3-二氢-1,4-异喹啉二酮 | 31053-30-2

• 物质功能分类: 医药中间体 - 喹啉类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 中文名称: 2,3-二氢-1,4-异喹啉二酮
• 英文名称: 2,3-Dihydroisoquinoline-1,4-dione
• CAS: 31053-30-2
• 化学式: C₉H₇NO₂
• 分子量: 161.16
• InChiKey: WRRHHSIPJQOVJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-苯磺酰基-3,3-二(甲硫基)丙烯腈 、 2,3-二氢-1,4-异喹啉二酮 、 potassium carbonate 以30%的产率得到
  参考文献：
  名称：

  HIDAKI SHOZO; TOMINAGA YOSHINORI; MATSUDA YOSHIRO; KOBAYASHI GORO; SAKEMI+, YAKUGAKU DZASSI, YAKUGAKU ZASSNI, J. PHARM. SOS. JAR., 1979, 99, NO 12, 1+

  摘要：

  DOI：
• 作为产物：
  描述：

  4-hydroxy-2-methyl-1(2H)-isoquinolone-3-carboxylic acid methyl ester 、 甲醇 、 sodium hydroxide 以68%的产率得到
  参考文献：
  名称：

  NUNAMI K.-I.; SUZUKI M.; MATSUMOTO K.; MIYOSHI M.; YONEDA N., CHEM. AND PHARM. BULL., 1979, 27, NO 6, 1373-1377

  摘要：

  DOI：

文献信息

• LISOFYLLINE ANALOGS AND METHODS FOR USE
  申请人：Macdonald Timothy L.

  公开号：US20100105690A1

  公开（公告）日：2010-04-29

  Analogs of a Lisofylline (LSF), and synthetic methods for the preparation of such analogs are provided. The analogs of LSF provided have the ability to protect cell viability, particularly the ability to protect pancreatic β-cells.

  提供了Lisofylline（LSF）的类似物以及制备这些类似物的合成方法。所提供的LSF类似物具有保护细胞存活能力，特别是保护胰岛β细胞的能力。
• BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS
  申请人：Wurtz Nicholas Ronald

  公开号：US20100041664A1

  公开（公告）日：2010-02-18

  The present invention provides novel bicyclic lactams derivatives, and analogues thereof, of Formula (I): or a stereoisomer, tautomer, pharmaceutically acceptable salt, solvate, or prodrug thereof, wherein the variables A, B, C, W, Y, Z 1 , Z 2 , Z 3 , Z 4 , R 8 , and R 9 are as defined herein. These compounds are selective inhibitors of factor VIIa which can be used as medicaments.

  本发明提供了新型双环内酰胺衍生物及其类似物，其化学式为(I)：或其立体异构体、互变异构体、药学上可接受的盐、溶剂化物或前药。其中，变量A、B、C、W、Y、Z1、Z2、Z3、Z4、R8和R9的定义如本文所述。这些化合物是选择性因子VIIa抑制剂，可用作药物。
• OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE
  申请人：CORRY SCHUYLER BOON

  公开号：US20120040380A1

  公开（公告）日：2012-02-16

  The present invention relates to compounds that are substrates for an enzyme, and upon reaction with the enzyme provide a detectable response, such as an optically detectable response. In particular, the compounds have utility in detecting the presence of a β-lactamase in a sample. In addition to the compounds, methods are disclosed for analyzing a sample for the presence of a β-lactmase, for example, as an indicator of expression of a nucleic acid sequence including a sequence coding for a β-lactmase. Kits are disclosed that include the disclosed compounds and additional components, for example, cells, antibodies, a β-lactmase or instructions for using the components in an assay.

  本发明涉及一种酶底物化合物，与酶反应后可提供可检测的响应，例如光学可检测的响应。特别地，这些化合物在检测样品中的β-内酰胺酶存在方面具有实用性。除了这些化合物，还揭示了一种分析样品中β-内酰胺酶存在的方法，例如，作为包括编码β-内酰胺酶的核酸序列表达的指标。还揭示了包括所述化合物和其他组分的试剂盒，例如细胞、抗体、β-内酰胺酶或使用组分进行检测的说明。
• Self-immolative probes for enzyme activity detection
  申请人：Szczepanik Maciej

  公开号：US20120122136A1

  公开（公告）日：2012-05-17

  Provided is a compound comprising the structure: (SIG)-(SI-MOD) m . In this compound, SIG is a signaling molecule, SI is a self-immolative structure bound to SIG such that SIG has a reduced signal relative to the signal of SIG without SI, MOD is a moiety bound to SI that is subject to modification by an activator, and m is an integer from 1 to about 10. With this compound, when MOD is modified by an activator, SI is destabilized and self-cleaved from SIG such that SIG generates an increased signal. Also provided is a method of determining whether a sample comprises an activator, using the above-described compound. Additionally provided is a method of determining whether a cell comprises a nitroreductase using the above-described compound where nitroreductase is the activator. Further provided is a method of determining whether a mammalian cell is hypoxic using the above-described compound where nitroreductase is the activator. A method of detecting a microorganism that comprises a nitroreductase, using the above-described compound where nitroreductase is the activator, is also provided. Also provided is a method of identifying nitroreductase in a sample, using the above-described compound where nitroreductase is the activator.

  提供的是一种化合物，包括结构：(SIG)-(SI-MOD)m。在该化合物中，SIG是一种信号分子，SI是结合在SIG上的自解离结构，使得SIG的信号相对于没有SI的SIG降低，MOD是结合在SI上的一种基团，可被活化剂修饰，m是1到约10的整数。使用这种化合物，当MOD被活化剂修饰时，SI被不稳定化并从SIG中自我裂解，从而使SIG产生增加的信号。还提供了一种使用上述化合物确定样品是否包含活化剂的方法。此外，还提供了一种使用上述化合物确定细胞是否包含硝基还原酶的方法，其中硝基还原酶是活化剂。还提供了一种使用上述化合物确定哺乳动物细胞是否低氧的方法，其中硝基还原酶是活化剂。还提供了一种使用上述化合物检测包含硝基还原酶的微生物的方法，其中硝基还原酶是活化剂。还提供了一种使用上述化合物在样品中鉴定硝基还原酶的方法，其中硝基还原酶是活化剂。
• SELF-IMMOLATIVE PROBES FOR ENZYME ACTIVITY DETECTION
  申请人：Enzo Life Sciences, Inc. c/o Enzo Biochem, Inc.

  公开号：US20150191768A1

  公开（公告）日：2015-07-09

  Provided is a compound comprising the structure: (SIG)-(SI-MOD) m . In this compound, SIG is a signaling molecule, SI is a self-immolative structure bound to SIG such that SIG has a reduced signal relative to the signal of SIG without SI, MOD is a moiety bound to SI that is subject to modification by an activator, and m is an integer from 1 to about 10. With this compound, when MOD is modified by an activator, SI is destabilized and self cleaved from SIG such that SIG generates an increased signal. Also provided is a method of determining whether a sample comprises an activator, using the above-described compound. Additionally provided is a method of determining whether a cell comprises a nitroreductase using the above-described compound where nitroreductase is the activator. Further provided is a method of determining whether a mammalian cell is hypoxic using the above-described compound where nitroreductase is the activator. A method of detecting a microorganism that comprises a nitroreductase, using the above-described compound where nitroreductase is the activator, is also provided. Also provided is a method of identifying nitroreductase in a sample, using the above-described compound where nitroreductase is the activator.

  提供的化合物包括结构：(SIG)-(SI-MOD)m。在该化合物中，SIG是一个信号分子，SI是与SIG结合的自解离结构，使得相对于没有SI的SIG，SIG的信号降低，MOD是结合在SI上的一个可以被激活剂修饰的基团，m是一个从1到大约10的整数。使用该化合物，当MOD被激活剂修饰时，SI会不稳定并从SIG中自我裂解，从而使SIG产生增强的信号。此外，提供了一种使用上述化合物确定样品中是否包含激活剂的方法。还提供了一种使用上述化合物确定细胞是否含有亚硝基还原酶的方法，其中亚硝基还原酶是激活剂。进一步提供了一种使用上述化合物确定哺乳动物细胞是否缺氧的方法，其中亚硝基还原酶是激活剂。还提供了一种使用上述化合物检测含有亚硝基还原酶的微生物的方法，其中亚硝基还原酶是激活剂。此外，还提供了一种使用上述化合物在样品中鉴定亚硝基还原酶的方法。