4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one | 126233-66-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one
• 英文别名: Imidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one, 4,5,6,7-tetrahydro-(9CI)；1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
• CAS: 126233-66-7
• 化学式: C₁₀H₁₁N₃O
• 分子量: 189.217
• InChiKey: IMAQBISTCDGKII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  44.4
• 氢给体数：
  2
• 氢受体数：
  2

文献信息

• Phospho-indoles as HIV inhibitors
  申请人：Storer Richard

  公开号：US20060074054A1

  公开（公告）日：2006-04-06

  3-phosphoindole compounds for the treatment of retroviral infections, and particularly for HIV, are described. Also included are compositions comprising the 3-phosphoindole derivatives alone or in combination with one or more other anti-retroviral agents, processes for their preparation, and methods of manufacturing a medicament incorporating these compounds.

  描述了用于治疗逆转录病毒感染，特别是HIV的3-磷酸吲哚化合物。还包括仅含有3-磷酸吲哚衍生物或与一个或多个其他抗逆转录病毒药物组合的组合物，它们的制备过程，以及制造包含这些化合物的药物的方法。
• [EN] METHOD FOR PREPARATION OF BENZIMIDAZOLE DERIVATIVES<br/>[FR] PROCÉDÉ DE PRÉPARATION DE DÉRIVÉS DE BENZIMIDAZOLE
  申请人：CJ HEALTHCARE CORP

  公开号：WO2015005615A1

  公开（公告）日：2015-01-15

  The present invention provides a method for preparing a compound with a benzimidazole structure with an excellent yield using a low-cost starting material, not requiring an additional separation process, or not using a dangerous reagent during the manufacturing process. Furthermore, the present invention also provides an intermediate and a final product produced by the preparing method.

  本发明提供了一种利用低成本起始物质制备带有苯并咪唑结构的化合物的方法，其产率优异，无需额外的分离过程，也不在制造过程中使用危险试剂。此外，本发明还提供了由该制备方法产生的中间体和最终产物。
• Prodrugs of hiv replication inhibiting pyrimidines
  申请人：——

  公开号：US20030186990A1

  公开（公告）日：2003-10-02

  The present invention concerns compounds of formula (A 1 )(A 2 )N—R 1 (I),the N-oxide forms, the pharmaceutically acceptable addition salts, the quaternary amines and stereochemically isomeric forms thereof, wherein R 1 is substituted C 1-6 alkyl; —S(═O)—R 8 ; —S(═O) 2 —R 8 ; C 7-12 alkylcarbonyl; optionally substituted C 1-6 alkyloxycarbonylC 1-6 alkylcarbonyl; with R 8 being C 1-6 alkyl, aryl 1 or Het 1 ; (A 1 )(A 2 )N— is the covalently bonded form of the corresponding intermediate of formula (A 1 )(A 2 )N—H, which is a HIV replication inhibiting pyrimidine of formula 1

  该发明涉及化合物的公式(A1)(A2)N—R1(I)，其N-氧化物形式、药用可接受的附加盐、季铵盐和立体化学异构体形式，其中R1为取代的C1-6烷基；—S(═O)—R8；—S(═O)2—R8；C7-12烷基羰基；可选择地取代的C1-6烷氧羰基C1-6烷基羰基；其中R8为C1-6烷基、芳基或Het1；(A1)(A2)N—为公式(A1)(A2)N—H对应中间体的共价结合形式，该中间体为公式1的HIV复制抑制嘧啶。
• HIV REPLICATION INHIBITING PYRIMIDINES
  申请人：——

  公开号：US20030114472A1

  公开（公告）日：2003-06-19

  This invention concerns the use of compounds of formula 1 the N-oxides, the pharmaceutically acceptable addition salts, quaternary amines and the stereochemically isomeric forms thereof, wherein -a 1 =-a 2 -a 3 =a 4 - forms a phenyl, pyridinyl, pyrimidinyl, pyridazinyl or pyrazinyl with the attached vinyl group; n is 0 to 4; and where possible 5; R 1 is hydrogen, aryl, formyl, C 1-6 alkylcarbonyl, C 1-6 alkyl, C 1-6 alkyloxy-carbonyl, substituted C 1-6 alkyl, or substituted C 1-6 alkyloxyC 1-6 alkylcarbonyl; each R 2 independently is hydroxy, halo, optionally substituted C 1-6 alkyl, C 2-6 alkenyl or C 2-6 alkynyl, C 3-7 cycloalkyl, C 1-6 alkyloxy, C 1-6 alkyloxycarbonyl, carboxyl, cyano, nitro, amino, mono- or di(C 1-6 alkyl)amino, polyhalomethyl, polyhalomethyloxy, polyhalo-methylthio, —S(═O) p R 6 , —NH—S(═O) p R 6 , —C(═O)R 6 , —NHC(═O)H, —C(═O)NHNH 2 , —NHC(═O)R 6 , —C(═NH)R 6 or a 5-membered heterocyclic ring; p is 1 or 2; L is optionally substituted C 1-10 alkyl, C 2-10 alkenyl, C 2-10 alkynyl or C 3-7 cycloalkyl; or L is —X—R 3 wherein R 3 is optionally substituted phenyl, pyridinyl, pyrimidinyl, pyrazinyl or pyridazinyl; X is —NR 1 —, —NH—NH—, —N═N—, —O—, —C(═O)—, —CHOH—, —S—, —S(═O)— or —S(═O) 2 —; Q is hydrogen, C 1-6 alkyl, halo, polyhalo-C 1-6 alkyl or an optionally substituted amino group; Y represents hydroxy, halo, C 3-7 cycloalkyl, optionally substituted C 1-6 alkyl, C 2-6 alkenyl or C 2-6 alkynyl, C 1-6 alkyloxy, C 1-6 alkyloxycarbonyl, carboxyl, cyano, nitro, amino, mono- or di(C 1-6 alkyl)amino, polyhalomethyl, polyhalomethyloxy, polyhalomethylthio, —S(═O) p R 6 , —NH—S(═O) p R 6 , —C(═O)R 6 , —NHC(═O)H, —C(═O)NHNH 2 , —NHC(═O)R 6 , —C(═NH)R 6 or aryl; aryl is optionally substituted phenyl; Het is an optionally substituted heterocyclic radical; for the manufacture of a medicine for the treatment of subjects suffering from HIV (Human Immunodeficiency Virus) infection.

  这项发明涉及使用式1化合物，其N-氧化物，药用可接受的加成盐，季铵盐和其立体化学异构体，其中-a1=-a2-a3=a4-形成苯基，吡啶基，嘧啶基，吡啉基或吡嗪基与附加的乙烯基；n为0至4；如可能为5；R1为氢，芳基，甲酰基，C1-6烷基羰基，C1-6烷基，C1-6烷氧羰基，取代的C1-6烷基，或取代的C1-6烷氧基烷基羰基；每个R2独立地为羟基，卤素，可选地取代的C1-6烷基，C2-6烯基或C2-6炔基，C3-7环烷基，C1-6烷氧基，C1-6烷氧羰基，羧基，氰基，硝基，氨基，单或双(C1-6烷基)氨基，多卤甲基，多卤甲氧基，多卤甲硫基，—S(═O)pR6，—NH—S(═O)pR6，—C(═O)R6，—NHC(═O)H，—C(═O)NHNH2，—NHC(═O)R6，—C(═NH)R6或5-成员杂环环；p为1或2；L为可选地取代的C1-10烷基，C2-10烯基，C2-10炔基或C3-7环烷基；或L为—X—R3，其中R3为可选地取代的苯基，吡啶基，嘧啶基，吡嗪基或吡啉基；X为—NR1—，—NH—NH—，—N═N—，—O—，—C(═O)—，—CHOH—，—S—，—S(═O)—或—S(═O)2—；Q为氢，C1-6烷基，卤素，多卤C1-6烷基或可选地取代的氨基；Y代表羟基，卤素，C3-7环烷基，可选地取代的C1-6烷基，C2-6烯基或C2-6炔基，C1-6烷氧基，C1-6烷氧羰基，羧基，氰基，硝基，氨基，单或双(C1-6烷基)氨基，多卤甲基，多卤甲氧基，多卤甲硫基，—S(═O)pR6，—NH—S(═O)pR6，—C(═O)R6，—NHC(═O)H，—C(═O)NHNH2，—NHC(═O)R6，—C(═NH)R6或芳基；芳基为可选地取代的苯基；Het为可选地取代的杂环基团；用于制造治疗感染艾滋病毒（Human Immunodeficiency Virus）的患者的药物。
• Non-nucleoside reverse transcriptase inhibitors
  申请人：——

  公开号：US20030069226A1

  公开（公告）日：2003-04-10

  A compound of formula I: 1 wherein A is a connecting chain of (C 1-3 ) alkyl; B is O or S; R 1 is H, (C 1-6 ) alkyl, halo, CF 3 , or OR 1a wherein R 1a is H or (C 1-6 )alkyl; R 2 is H or Me; R 3 is H or Me; R 4 is H, (C 1-4 ) alkyl, (C 3-4 ) cycloalkyl and (C 1-4 )alkyl(C 3-7 )cycloalkyl; W is selected from 2 wherein, a) one of Y is SO 2 and the other Y is NR 5 , provided that both are not the same, wherein R 5 is H, (C 1-6 )alkyl,(C 3-6 ) cycloalkyl, the alkyl being substituted, COR 5o , COOR 5p or CONR 5q PR 5q ; and each R 8 is H, (C 1-4 ) alkyl, (C 3-6 ) cycloalkyl, or (C 1-4 ) alkyl-(C 3-6 ) cycloalkyl; or b) E is CR 8a R 8b wherein R 8a and R 8b is H, or alkyl and J is CH 2 ; or J is CR 8a R 8b and E is CH 2 , and the dotted line represents a single bond; or c) E is C(O) and J is CR 8a R 8b or J is C(O) and E is CR 8a R 8b and the dotted line represents a single bond; or d) E and J are CR 8a R 8b and the dotted line represents a double bond. Compounds of formula I have activity against HIV WT and double mutant strains.

  公式I的化合物：其中A是连接链(C1-3)烷基；B是O或S；R1是H，(C1-6)烷基，卤素，CF3或OR1a，其中R1a是H或(C1-6)烷基；R2是H或Me；R3是H或Me；R4是H，(C1-4)烷基，(C3-4)环烷基和(C1-4)烷基(C3-7)环烷基；W是从2中选择，其中， a) Y中的一个是SO2，另一个是NR5，前提是两者不相同，其中R5是H，(C1-6)烷基，(C3-6)环烷基，被取代的烷基，COR5o，COOR5po或CONR5qPR5q；每个R8是H，(C1-4)烷基，(C3-6)环烷基或(C1-4)烷基-(C3-6)环烷基；或 b) E是CR8aR8b，其中R8a和R8b是H，或烷基，J是CH2；或J是CR8aR8b，E是CH2，虚线代表单键；或 c) E是C(O)，J是CR8aR8b，或J是C(O)，E是CR8aR8b，虚线代表单键；或 d) E和J都是CR8aR8b，虚线代表双键。公式I的化合物对HIV WT和双突变株具有活性。