(E)-1-(4-methylpiperazin-1-yl)but-2-en-1-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (E)-1-(4-methylpiperazin-1-yl)but-2-en-1-one
• 化学式: C₉H₁₆N₂O
• 分子量: 168.24
• InChiKey: MSSVTAQQRKJESB-ONEGZZNKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE
  申请人：Nagashima Shinya

  公开号：US20110294749A1

  公开（公告）日：2011-12-01

  A compound which may be used for the prevention or treatment of respiratory diseases in which STAT 6 is concerned, particularly asthma, chronic obstructive pulmonary disease and the like is provided. A pyrimidine derivative or a salt thereof, which has an arylamino or arylethylamino group which may be substituted with a specified substituent, at the 2-position, amino group substituted with benzyl group or the like, at the 4-position, and carbamoyl group which may be substituted, at the 5-position, is provided.

  提供了一种可用于预防或治疗涉及STAT 6的呼吸系统疾病，特别是哮喘、慢性阻塞性肺疾病等的化合物。该化合物为嘧啶衍生物或其盐，其在2位具有可以被指定取代基取代的芳基氨基或芳基乙基氨基基团，在4位具有可以被苄基或类似物取代的氨基基团，并在5位具有可以被取代的氨基甲酰基团。
• Tricyclic Heterocyclic Compounds as Phosphoinositide 3-Kinase Inhibitors
  申请人：Shuttleworth Stephen Joseph

  公开号：US20120178737A1

  公开（公告）日：2012-07-12

  Compounds of formula (I) or a pharmaceutically acceptable salt thereof, wherein: W is O, N—H, N-(C 1 -C 10 alkyl) or S; each X is independently CH or N; R 1 is a 5 to 7-membered saturated or unsaturated, optionally substituted heterocycle containing at least 1 heteroatom selected from N or O; R 2 is (LQ) m Y; and each R 3 is independently H, C 1 -C 10 alkyl, aryl or heteroaryl, are surprisingly found to be inhibitors of PI3K-p110δ, and therefore have utility in therapy.

  公式（I）或其药物可接受的盐的化合物，其中：W为O、N-H、N-(C1-C10烷基)或S；每个X独立地为CH或N；R1是一个含有至少1个来自N或O的杂原子的5到7元饱和或不饱和、可选择取代的杂环；R2是（LQ）mY；每个R3独立地为H、C1-C10烷基、芳基或杂环芳基，这些化合物出人意料地被发现是PI3K-p110δ的抑制剂，因此在治疗中具有实用价值。
• OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES, THEIR PREPARATION AND USE
  申请人：Kovach John S.

  公开号：US20120270736A1

  公开（公告）日：2012-10-25

  This invention provides compounds having the structure which may be used for the treatment of tumors.

  这项发明提供了具有以下结构的化合物，可用于肿瘤治疗。
• TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS
  申请人：Karus Therapeutics Limited

  公开号：US20160108057A1

  公开（公告）日：2016-04-21

  Compounds of formula (I) or a pharmaceutically acceptable sail thereof, wherein: W is O, N—H, N—(C 1 -C 10 alkyl) or S; each X is independently CH or N; R 1 is a 5 to 7-membered saturated or unsaturated, optionally substituted heterocycle containing at least 1 heteroatom selected from N or O; R 2 is (LQ) m Y; and each R 3 is independently H, C 1 -C 10 alkyl, aryl or heteroaryl, are surprisingly found to be inhibitors of PI3K-p110δ, and therefore have utility in therapy.

  公式（I）的化合物或其药学上可接受的盐，其中：W为O，N-H，N-(C1-C10烷基)或S；每个X独立地为CH或N；R1是一个含有至少1个来自N或O的杂原子的5到7个成员的饱和或不饱和，可选择取代的杂环；R2是（LQ）mY；每个R3独立地为H，C1-C10烷基，芳基或杂环基，令人惊讶的发现它们是PI3K-p110δ的抑制剂，因此在治疗中具有用途。
• HIV REPLICATION INHIBITING PYRIMIDINES
  申请人：Janssen Pharmaceutica NV

  公开号：EP3808743A1

  公开（公告）日：2021-04-21

  This invention concerns HIV replication inhibitors of formula the N-oxides, the pharmaceutically acceptable addition salts, the quaternary amines and the stereochemically isomeric forms thereof, wherein the ring containing -a1=a2-a3=a4- and -b1=b2-b3=b4- represents phenyl, pyridyl, pyrimidinyl, pirazinyl, pyridazinyl;n is 0 to 5; m is 1 to 4; R1 is hydrogen; aryl; formyl; C1-6alkylcarbonyl; C1-6alkyl; C1-6alkyloxycarbonyl; substituted C1-6alkyl, C1-6alkylcarbonyl, C1-6alkyloxycarbonyl, C1-6alkylcarbonyloxy; substituted Cl-6alkyloxyCl-6alkylcarbonyl; R2 is hydroxy, halo, optionally substituted C1-6alkyl, C3-7cycloalkyl, optionally substituted C2-6alkenyl, optionally substituted C2-6alkynyl, C1-6alkyloxy, C1-6alkyloxycarbonyl, carboxyl, cyano, nitro, amino, mono- or di(C1-6alkyl)amino, polyhalomethyl, polyhalomethyloxy, polyhalomethylthio, -S(=O)pR6, -NH-S(=O)pR6, -C(=O)R6, -NHC(=O)H, -C(=O)NHNH2, -NHC(=O)R6, -C(=NH)R6 or a 5-membered heterocycle; X1 is -NR5-, -NH-NH-, -N=N-, -O-, -C(=O)-, C1-4alkanediyl, -CHOH-, -S-, -S(=O)p-, -X2-C1-4alkanediyl- or -C1-4alkanediyl-X2-; R3 is NHR13; NR13R14; -C(=O)-NER13; -C(=O)-NR13R14; -C(=O)-R15; -CH=N-NH-C(=O)-R16; substituted C1-6alkyl; optionally substituted C1-6alkyloxyC1-6alkyl; substituted C2-6alkenyl; substituted C2-6alkynyl; C1-6alkyl substituted with hydroxy and a second substituent; -C(=N-O-R8)-C1-4alkyl; R7; or -X3-R7; R4 is halo, hydroxy, C1-6alkyl, C3-7cycloalkyl, C1-6alkyloxy, cyano, nitro, polyhaloC1-6alkyl, polyhaloC1-6alkyloxy, aminocarbonyl, C1-6alkyloxycarbonyl, C1-6alkylcarbonyl, formyl, amino, mono- or di(C1-4alkyl)amino; their use as a medicine, their processes for preparation and pharmaceutical compositions comprising them.

  本发明涉及式中的艾滋病毒复制抑制剂 的N-氧化物、药学上可接受的加成盐、季胺及其立体异构体形式，其中含有-a1=a2-a3=a4-和-b1=b2-b3=b4-的环代表苯基、吡啶基、嘧啶基、吡嗪基、哒嗪基；取代的C1-6烷氧基Cl-6烷基羰基；R2 是羟基、卤代、任选取代的 C1-6 烷基、C3-7 环烷基、任选取代的 C2-6 烯基、任选取代的 C2-6 烷炔基、C1-6烷氧基、C1-6烷氧基羰基、羧基、氰基、硝基、氨基、单或双（C1-6烷氧基羰基）、C1-6烷氧基羰基、C1-6烷基羧基、C1-6烷基羰基氨基、单-或二(C1-6烷基)氨基、多卤甲基、多卤甲基氧基、多卤甲基硫代、-S(＝O)pR6、-NH-S(＝O)pR6、-C(＝O)R6、-NHC(＝O)H、-C(＝O)NHNH2、-NHC(＝O)R6、-C(＝NH)R6 或 5 元杂环；X1 是-NR5-、-NH-NH-、-N=N-、-O-、-C(=O)-、C1-4烷二基、-CHOH-、-S-、-S(=O)p-、-X2-C1-4烷二基-或-C1-4烷二基-X2-； R3 是 NHR13；NR13R14；-C(=O)-NER13；-C(=O)-NR13R14；-C(=O)-R15；-CH=N-NH-C(=O)-R16；取代的 C1-6 烷基；任选取代的 C1-6 烷氧基 C1-6 烷基；取代的 C2-6 烯基；取代的 C2-6 烷炔基；被羟基和第二个取代基取代的 C1-6 烷基；-R4为卤代、羟基、C1-6烷基、C3-7环烷基、C1-6烷氧基、氰基、硝基、多卤代C1-6烷基、多卤代C1-6烷氧基、氨基羰基、C1-6烷氧基羰基、C1-6烷基羰基、甲酰基、氨基、单-或二(C1-4烷基)氨基；它们的医药用途、制备工艺和包含它们的药物组合物。