12-ethyl-2-hydroxy-7-(1-hydroxypropyl)-8-methyl-11H-indolizino[1,2-b]quinolin-9-one | 596804-91-0

• 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: 12-ethyl-2-hydroxy-7-(1-hydroxypropyl)-8-methyl-11H-indolizino[1,2-b]quinolin-9-one
• CAS: 596804-91-0
• 化学式: C₂₁H₂₂N₂O₃
• 分子量: 350.417
• InChiKey: UVZBBCNZRFHZDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  73.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-acetoxy-12-ethyl-7-(1-hydroxypropyl)-8-methyl-11H-indolizino[1,2-b]quinolin-9-one 在 potassium carbonate 作用下， 以 甲醇 、 水 为溶剂， 反应 2.0h， 以78%的产率得到12-ethyl-2-hydroxy-7-(1-hydroxypropyl)-8-methyl-11H-indolizino[1,2-b]quinolin-9-one
  参考文献：
  名称：

  [EN] MAPPICINE ANALOGS, METHODS OF INHIBITING RETROVIRAL REVERSE TRANSCRIPTASE AND METHODS OF TREATING RETROVIRUSES
  [FR] ANALOGUES DE MAPPICINES, PROCEDES D'INHIBITION DE TRANSCRIPTASE INVERSE RETROVIRALE ET METHODES DE TRAITEMENT DE RETROVIRUS

  摘要：

  公开号：

  WO2003103610A3

文献信息

• Mappicine analogs, intermediates in the synthesis of mappicine analogs and methods of synthesis of mappicine analogs
  申请人：——

  公开号：US20040077674A1

  公开（公告）日：2004-04-22

  A compound having the following structure: 1 wherein Z is —CHOR 1 R 2 or —C(O)R 2 ; R 1 is H, an alkyl group, an aryl group, —OC(O)OR a , wherein R a is an alkyl group, —C(O)R b wherein R b is an alkyl group, an aryl group, an alkoxy group, an amino group, an alkylamino group, a dialkylamino group, an aryl amino group, a diarylamino group, an arylalkyl amino group, a protecting group or a fluorous tag; R 2 is an alkyl group, an aryl group or an arylalkyl group; R 3 is H, an alkyl group, hydroxyalkyl group or an aryl group; R 4 —R 8 are independently the same or different and are hydrogen, an alkyl group, an alkenyl group, an alkynyl group, an aryl group, an alkoxy group, an aryloxy group, an acyloxy group, a haloalkyl group, a perfluoroalkyl group, fluorine, chlorine, bromine, a haloalkyloxy group, a carbamoyloxy group, a hydroxy group, a nitro group, a cyano group, a cyanoalkyl group, an azido group, an azidoalkyl group, a formyl group, a hydrazino group, a hydrazinoalkyl group, a hydroxyalkyl group, an alkoxyalkyl group, —NR 1 R m , wherein R 1 and R m are independently hydrogen, an alkyl group, an aryl group, an arylalkyl group, or —C(O)R b , an aminoalkyl group, an alkylaminoalkyl group, a dialkylaminoalkyl group, an aryl aminoalkyl group, a diarylaminoalkyl group, an arylalkyl aminoalkyl group, —OC(O)OR a , wherein R a is an alkyl group, —C(O)R b , —SR c , S(O)R c or S(O 2 )R c wherein R c is hydrogen, —C(O)R b , an alkyl group, or an aryl group, (CH 2 ) n SiR d R e R f wherein n is an integer within the range of 0 through 10 and R d , R e and R f are independently a C 1-10 alkyl group, a C 2-10 alkenyl group, a C 2-10 alkynyl group, an aryl group, a haloalkyl group, a cyanoalkyl group, an azidoalkyl group, a hydrazinoalkyl group, a hydroxyalkyl group, an alkoxyalkyl group, an aminoalkyl group, an alkylaminoalkyl group, a dialkylaminoalkyl group, an aryl aminoalkyl group, a diarylaminoalkyl group, an arylalkyl aminoalkyl group. Alternatively R 4 and R 5 , R 5 and R 6 ; R 6 and R 7 ; or R 7 and R 8 can form together a chain of 3 or four groups selected from CH, CH 2 , O, S, N, NH, N-alkyl or N-aryl. Provided that, at least one of R 5 —R 7 is not H, a lower alkyl group, fluorine, a cyano group, a hydroxyl group, hydroxyalkyl group, an alkoxy group, an aminoalkyl group, an alkylaminoalkyl group, a dialkylaminoalkyl group, an amino group, an alkylamino group, a dialkylamino group, a carbamoyloxy group, a formyl group or —C(O)R x wherein R x is an alkyl group.

  一种具有以下结构的化合物：1其中Z为—CHOR1R2或—C（O）R2; R1为H、烷基、芳基、—OC（O）ORa，其中R为烷基、—C（O）Rb，其中Rb为烷基、芳基、烷氧基、氨基、烷基氨基、双烷基氨基、芳基氨基、双芳基氨基、芳基烷基氨基、保护基或氟标记基; R2为烷基、芳基或芳基烷基; R3为H、烷基、羟基烷基或芳基; R4-R8独立且相同或不同，为氢、烷基、烯基、炔基、芳基、烷氧基、芳氧基、乙酰氧基、卤代烷基、全氟烷基、氟、氯、溴、卤代烷氧基、氨基甲酰氧基、羟基、硝基、氰基、氰基烷基、叠氮基、叠氮基烷基、甲酰基、肼基、肼基烷基、羟基烷基、烷氧基烷基、—NR1Rm，其中R1和Rm独立且相同或不同，为氢、烷基、芳基、芳基烷基或—C（O）Rb、氨基烷基、烷基氨基烷基、双烷基氨基烷基、芳基氨基烷基、双芳基氨基烷基、芳基烷基氨基烷基、—OC（O）ORa，其中R为烷基、—C（O）Rb、—SRc、S（O）Rc或S（O2）Rc，其中Rc为氢、—C（O）Rb、烷基或芳基，（CH2）nSiRdReRf，其中n为0到10的整数，Rd、Re和Rf独立且相同或不同，为C1-10烷基、C2-10烯基、C2-10炔基、芳基、卤代烷基、氰基烷基、叠氮基烷基、肼基烷基、羟基烷基、烷氧基烷基、氨基烷基、烷基氨基烷基、双烷基氨基烷基、芳基氨基烷基、双芳基氨基烷基、芳基烷基氨基烷基。或者R4和R5、R5和R6、R6和R7或R7和R8可以形成由CH、 、O、S、N、NH、N-烷基或N-芳基选择的3或4个组成的链。但至少R5-R7中的一个不是H、低碳烷基、氟、氰基、羟基、羟基烷基、烷氧基、氨基烷基、烷基氨基烷基、双烷基氨基烷基、氨基、烷基氨基、双烷基氨基、氨基甲酰氧基、甲酰基或—C（O）Rx，其中Rx为烷基。
• Mappicine analogs, methods of inhibiting retroviral reverse transcriptase and methods of treating retroviruses
  申请人：——

  公开号：US20040058948A1

  公开（公告）日：2004-03-25

  A method of inhibiting retroviral reverse transcriptase or hepadnaviral reverse transcriptase includes the step of administering a pharmaceutically effective amount of a mappicine analog or a pharmaceutically acceptable salt thereof. A method of treating a patient infected with a retrovirus or hepadnavirus includes the step of administering a pharmaceutically effective amount of a mappicine analog or a pharmaceutically acceptable salt thereof

  一种抑制逆转录病毒逆转录酶或乙型肝炎病毒逆转录酶的方法包括给予药学上有效量的马皮西林类似物或其药学上可接受的盐。一种治疗感染逆转录病毒或乙型肝炎病毒的患者的方法包括给予药学上有效量的马皮西林类似物或其药学上可接受的盐。
• [EN] MAPPICINE ANALOGS, INTERMEDIATES IN THE SYNTHESIS OF MAPPICINE ANALOGS AND METHODS OF SYNTHESIS OF MAPPICINE ANALOGS<br/>[FR] ANALOGUES DE LA MAPPICINE, INTERMEDIAIRES UTILISES POUR LA SYNTHESE D'ANALOGUES DE LA MAPPICINE ET METHODES DE SYNTHESE D'ANALOGUES DE LA MAPPICINE
  申请人：——

  公开号：WO2003074524A3

  公开（公告）日：2004-04-29