N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]acetamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]acetamide
• 化学式: C₁₇H₁₅N₃O₂
• 分子量: 293.32
• InChiKey: MMXSDWJOQSEPSM-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  70.6
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• [EN] BENZODIAZEPINE DERIVATIVES USEFUL IN TREATING A RESPIRATORY SYNCYTIAL VIRUS INFECTION<br/>[FR] DÉRIVÉS DE BENZODIAZÉPINE UTILES POUR LE TRAITEMENT D'UNE INFECTION PAR LE VIRUS RESPIRATOIRE SYNCYTIAL
  申请人：REVIRAL LTD

  公开号：WO2022008911A1

  公开（公告）日：2022-01-13

  Benzodiazepine derivatives of formula (Ie) wherein one of R1 and R2 is a benzodiazepinyl-containing group of formula (II) in which R8 is H or halo; the other of R1 and R2 is a group Z selected from H, C3-C6 cycloalkyl, halo, -NHR9, benzyl, phenyl, 4- to 10-membered heterocyclyl and 4- to 10-membered heteroaryl, wherein phenyl, heterocyclyl and heteroaryl are unsubstituted or substituted by one or two substituents selected from 4- to 10-membered heterocyclyl which is unsubstituted or substituted by OR, and from C1-C6 alkyl, C1-C6 hydroxyalkyl, C1-C6 haloalkyl, C3-C6 cycloalkyl, halo, -OR, -(CH2)mOR, -NR2, -(CH2)mNR2, -NHR", -SOmNR2, -SOmR, -SR, nitro, -CO2R, -CN, -CONR2, -NHCOR, -CH2NR10R11 and -NR10R11, in which each R is independently H or C1-C6 alkyl, R" is C3-C6 cycloalkyl and m is 1 or 2; R9 is selected from phenyl and 4- to 10-membered heteroaryl wherein phenyl and heteroaryl are unsubstituted or substituted by halo; R10 and R11 are each independently H or C1-C6 alkyl; or R10 and R11 form, together with the N atom to which they are attached, either (a) a morpholine ring which is optionally bridged by a -CH2- group linking two ring carbon atoms that are positioned para to each other, or (b) a spiro group of the following formula (b): and ring A is a ring of one of the following structural formulae (I-1), (I-2) and (I-3): and ring A is a ring of one of the following structural formulae (I-1), (1-2) and (1-3): in which Y is selected from O, S, SO2 and NR, wherein R is as defined above, and each of R2 to R7 is independently H, C1-C6 alkyl, C1-C6 hydroxyalkyl, C3-C6 cycloalkyl, halo, -OR, -CH2OR, -NR2, -CH2NR12R13, -NRCOOR, -CH2OR, -SOmNR2, -SOmR, - CH2SOmR, nitro, -CO2R, -CN, -CONR2 or -NHCOR, in which R and m are as defined above and R12 and R13 are each independently H, C1-C6 alkyl, benzyl, 4- to 10-membered heterocyclyl or R12 and R13 form, together with the N atom to which they are attached, a 4- to 10-membered heteroaryl which is unsubstituted or a 4- to 10-membered heterocyclyl which is unsubstituted or substituted with C1-C6 alkyl or halo, or any two of R2 to R7 that bond to the same carbon atom form a spiro ring selected from a C3-C6 cycloalkyl spiro ring and a spiro oxetane ring of the following structure: (Formula A) and the pharmaceutically acceptable salts thereof are inhibitors of RSV and can therefore be used to treat or prevent an RSV infection.

  苯二氮卓啉衍生物的化学式(Ie)，其中R1和R2中的一个是具有化学式(II)的苯二氮卓啉基团，其中R8为H或卤素；另一个是从H、C3-C6环烷基、卤素、-NHR9、苄基、苯基、4-到10元杂环烷基和4-到10元杂芳基中选择的基团Z，其中苯基、杂环烷基和杂芳基未被取代或被一个或两个取代基取代，所述取代基从未被取代或被OR取代的4-到10元杂环烷基和从C1-C6烷基、C1-C6羟基烷基、C1-C6卤基烷基、C3-C6环烷基、卤素、-OR、-(CH2)mOR、-NR2、-( )mNR2、-NHR"、-SOmNR2、-SOmR、-SR、硝基、-CO2R、-CN、-CONR2、-NHCOR、- NR10R11和-NR10R11中选择，其中每个R独立地为H或C1-C6烷基，R"为C3-C6环烷基，m为1或2；R9从苯基和4-到10元杂芳基中选择，其中苯基和杂芳基未被取代或被卤素取代；R10和R11各自独立地为H或C1-C6烷基；或R10和R11与它们连接的N原子一起形成(a)可以由连接两个对位的环碳原子的- -基团桥接的吗啡环，或(b)下列化学式(b)的螺环团，其中环A是以下结构式(I-1)、(I-2)和(I-3)之一的环，环A是以下结构式(I-1)、(1-2)和(1-3)之一的环，其中Y从O、S、SO2和NR中选择，其中R如上定义，R2到R7中的每一个独立地为H、C1-C6烷基、C1-C6羟基烷基、C3-C6环烷基、卤素、-OR、- OR、-NR2、- NR12R13、-NRCOOR、- OR、-SOmNR2、-SOmR、- SOmR、硝基、-CO2R、-CN、-CONR2或-NHCOR，其中R和m如上定义，R12和R13各自独立地为H、C1-C6烷基、苄基、4-到10元杂环烷基或R12和R13与它们连接的N原子一起形成未被取代的4-到10元杂芳基或未被取代或被C1-C6烷基或卤素取代的4-到10元杂环烷基，或结合到同一碳原子的R2到R7中的任意两个形成以下结构的螺环：(化学式A)，及其药学上可接受的盐是RSV的抑制剂，因此可以用来治疗或预防RSV感染。
• BENZODIAZEPINE DERIVATIVES FOR TREATING HEPATITIS C INFECTION
  申请人：Dennison Helena

  公开号：US20090318427A1

  公开（公告）日：2009-12-24

  Use of a benzodiazepine of formula (I), or a pharmaceutically acceptable salt thereof, in the manufacture of a medicament for use in treating or preventing a hepatitis C infection, wherein: —R 1 represents C 1-6 alkyl, aryl or heteroaryl; —R 2 represents hydrogen or C 1-6 alkyl; —each R 3 is the same or different and represents halogen, hydroxy, C 1-6 alkyl, C 1-6 alkoxy, C 1-6 alkylthio, C 1-6 haloalkyl, C 1-6 haloalkoxy, amino, mono(C 1-6 alkyl)amino, di(C 1-6 alkyl)amino, nitro, cyano, —CO 2 R′, —CONR′R″, —NH—C 0 -R′, —S(O)R′, —S(O) 2 R′, —NH—S(O) 2 R′, —S(O)NR′R″ or —S(O) 2 NR′R″, wherein each R′ and R″ is the same or different and represents hydrogen or C 1-6 alkyl; —n is from 0 to 3; —R 4 represents hydrogen or C 1-6 alkyl; —R 5 represents C 1-6 alkyl, aryl, heteroaryl, carbocyclyl, heterocyclyl, aryl-(C 1-6 alkyl)-, heteroaryl-(C 1-6 alkyl)-, carbocyclyl-(C 1-6 alkyl)-, heterocyclyl-(C 1-6 alkyl)-, aryl-(C 1-6 hydroxyalkyl)-, heteroaryl-(C 1-6 hydroxyalkyl)-, carbocyclyl-(C 1-6 hydroxyalkyl)-, heterocyclyl-(C 1-6 hydroxyalkyl)-, aryl-C(O)—C(O)—, heteroaryl-C(O)—C(O)—, carbocyclyl-C(O)—C(O)—, heterocyclyl-C(O)—C(O)— or —XR 6 ; —X represents —CO—, —S(O)— or —S(O) 2 —; and —R 6 represents C 1-6 alkyl, hydroxy, C 1-6 alkoxy, C 1-6 alkylthio, aryl, heteroaryl, carbocyclyl, heterocyclyl, aryl-(C 1-6 alkyl)-, heteroaryl-(C 1-6 alkyl)-, carbocyclyl-(C 1-6 alkyl)-, heterocyclyl-(C 1-6 alkyl)-, aryl-(C 1-6 alkyl)-O—, heteroaryl-(C 1-6 alkyl)-O—, carbocyclyl-(C 1-6 alkyl)-O—, heterocyclyl-(C 1-6 alkyl)-O— or —NR′R″ wherein each R′ and R″ is the same or different and represents hydrogen, C 1-6 alkyl, carbocyclyl, heterocyclyl, aryl, heteroaryl, aryl-(C 1-6 alkyl)-, heteroaryl-(C 1-6 alkyl)-, carbocyclyl-(C 1-6 alkyl)- or heterocyclyl-(C 1-6 alkyl)-.

  使用式(I)苯二氮平或其药学上可接受的盐制备药物，用于治疗或预防丙型肝炎感染，其中： - R1代表C1-6烷基，芳基或杂环芳基； - R2代表氢或C1-6烷基； - 每个R3相同或不同，代表卤素，羟基，C1-6烷基，C1-6烷氧基，C1-6烷基硫基，C1-6卤代烷基，C1-6卤代烷氧基，氨基，单(C1-6烷基)氨基，双(C1-6烷基)氨基，硝基，氰基，-CO2R'，-CONR'R"，-NH-C0-R'，-S(O)R'，-S(O)2R'，-NH-S(O)2R'，-S(O)NR'R"或-S(O)2NR'R"，其中每个R'和R"相同或不同，代表氢或C1-6烷基； - n为0至3； - R4代表氢或C1-6烷基； - R5代表C1-6烷基，芳基，杂环芳基，碳环基，杂环基，芳基-(C1-6烷基)-，杂环芳基-(C1-6烷基)-，碳环基-(C1-6烷基)-，杂环基-(C1-6烷基)-，芳基-(C1-6羟基烷基)-，杂环芳基-(C1-6羟基烷基)-，碳环基-(C1-6羟基烷基)-，杂环基-(C1-6羟基烷基)-，芳基-C(O)-C(O)-，杂环芳基-C(O)-C(O)-，碳环基-C(O)-C(O)-，杂环基-C(O)-C(O)-或-XR6； - X代表-CO-，-S(O)-或-S(O)2-； - R6代表C1-6烷基，羟基，C1-6烷氧基，C1-6烷基硫基，芳基，杂环芳基，碳环基，杂环基，芳基-(C1-6烷基)-，杂环芳基-(C1-6烷基)-，碳环基-(C1-6烷基)-，杂环基-(C1-6烷基)-，芳基-(C1-6烷基)-O-，杂环芳基-(C1-6烷基)-O-，碳环基-(C1-6烷基)-O-，杂环基-(C1-6烷基)-O-或-NR'R"，其中每个R'和R"相同或不同，代表氢，C1-6烷基，碳环基，杂环基，芳基，杂环芳基，芳基-(C1-6烷基)-，杂环芳基-(C1-6烷基)-，碳环基-(C1-6烷基)-或杂环基-(C1-6烷基)-。
• Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein
  申请人：Powell Kenneth

  公开号：US20070142403A1

  公开（公告）日：2007-06-21

  A pharmaceutical composition which comprises a pharmaceutically acceptable carrier or diluent and: (a) an inhibitor of the RSV fusion protein; and (b) a benzodiazepine derivative capable of inhibiting RSV replication is found to be highly active against RSV.
• US8039616B2
  申请人：——

  公开号：US8039616B2

  公开（公告）日：2011-10-18
• US8853204B2
  申请人：——

  公开号：US8853204B2

  公开（公告）日：2014-10-07