3,4-dihydrophenanthridin-1(2H)-one | 1034346-19-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 3,4-dihydrophenanthridin-1(2H)-one
• 英文别名: 3,4-dihydro-2H-phenanthridin-1-one
• CAS: 1034346-19-4
• 化学式: C₁₃H₁₁NO
• 分子量: 197.236
• InChiKey: JAMNSTZCOSWDRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3,4,5,6-tetrahydrophenanthridin-1(2H)-one 在 air 作用下， 以 异丙醇 为溶剂， 生成 3,4-dihydrophenanthridin-1(2H)-one
  参考文献：
  名称：

  通过CuI催化的β-酮基酯和2-卤代苄基胺的偶合来组装异喹啉。

  摘要：

  CuI催化的2-卤代苄胺与β-酮酸酯或1,3-二酮在i-PrOH中在K（2）CO（3）的作用下生成1,2-二氢异喹啉作为偶联/缩合环化产物，在空气气氛下进行平滑脱氢，得到取代的异喹啉。

  DOI：

  10.1021/ol800900a

文献信息

• The Reactivity of Enantiopure (<i>S</i> )-6-Oxopipecolic Acid and Corresponding Pyridoisoquinolines Under Acidic Conditions
  作者：Peter Šafář、Štefan Marchalín、Barbora Balónová、Michal Šoral、Ján Moncol、Alina Ghinet、Benoît Rigo、Adam Daïch

  DOI：10.1002/ejoc.201800908

  日期：2018.11.1

  Enantiopure N‐benzyl 6‐oxopipecolic acid, generated from (S)‐2‐aminoadipic acid, was evaluated under different π‐cationic cyclization conditions. The combination of SOCl2/AlCl3 seems to be superior in terms of the reaction yields. Other activators resulted in a change of the reaction profile and, interestingly, in the diversification of the aza‐heterocyclic systems.

  由（S）-2-氨基己二酸生成的对映纯N-苄基6-氧代哌酸在不同的π-阳离子环化条件下进行了评估。就反应产率而言，SOCl 2 / AlCl 3的组合似乎是优越的。其他活化剂导致反应曲线的变化，有趣的是，氮杂杂环系统的多样性。
• Phenanthridinones as parp inhibitors
  申请人：Yamamoto Hirofumi

  公开号：US20050171101A1

  公开（公告）日：2005-08-04

  A compound of the formula (I): wherein ring A is a carbocyclic group, R1 is hydrogen or a halogen atom or a lower alkyl group, R2 is a di(lower)alkylamino group or N-containing heterocyclic group, among which the N-containing heterocyclic group may be substituted with one or more substituent(s), Y is an oxygen or sulfur atom, n is an integer from 0 to 2, and m is an integer from 0 to 4, or its prodrug, or their salt which has poly(adenosine 5′-diphospho-ribose)polymerase inhibiting activity.

  化合物的式子(I)如下：其中环A是一个碳环基团，R1是氢原子或卤素原子或低碳基团，R2是二(低)烷基氨基团或含N的杂环基团，其中含N的杂环基团可以被一个或多个取代基取代，Y是氧原子或硫原子，n是0到2之间的整数，m是0到4之间的整数，或其前药，或其具有聚腺苷酸二磷酸核糖酶抑制活性的盐。
• TRICYCLIC DERIVATIVE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME
  申请人：ONCONIC THERAPEUTICS INC.

  公开号：EP3312177B1

  公开（公告）日：2021-04-14
• PHENANTHRIDINONES AS PARP INHIBITORS
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP1487800A1

  公开（公告）日：2004-12-22
• USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES
  申请人：DelMar Pharmaceuticals, Inc.

  公开号：US20180071244A1

  公开（公告）日：2018-03-15

  The use of dianhydrogalactitol provides a novel therapeutic modality for the treatment of malignancies of the central nervous system in pediatric patients, including glioblastoma multiforme (GBM) high grade glioma, and medulloblastoma. Dianhydrogalactitol acts as an alkylating agent on DNA that creates N 7 methylation and that can induce double-stranded breaks in DNA. Dianhydrogalactitol is effective in suppressing the growth of cancer stem cells and is active against tumors that are refractory to temozolomide, cisplatin, and tyrosine kinase inhibitors; the drug acts independently of the MGMT repair mechanism. Dianhydrogalactitol can be used together with other anti-neoplastic agents (e.g. cisplatin) and can possess additive or super-additive effects.