4-(2-methylpiperazin-4-ium-1-yl)benzoate

• 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: 4-(2-methylpiperazin-4-ium-1-yl)benzoate
• 化学式: C12H16N2O2
• 分子量: 220.27
• InChiKey: XLMMHXGFJVDFHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  52.6
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• [EN] C-3 NOVEL TRITERPENONE WITH C-17 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS<br/>[FR] NOUVEAU TRITERPÉNONE EN C-3 AVEC DES DÉRIVÉS D'AMIDE INVERSE EN C-17 EN TANT QU'INHIBITEURS DU VIH
  申请人：HETERO LABS LTD

  公开号：WO2018029604A1

  公开（公告）日：2018-02-15

  The present invention relates to C-3 novel triterpenone with C-17 reverse amide compounds of Formula (I); and pharmaceutically acceptable salts thereof, wherein ring Formula (II), R1, R2, R3, R4, R5, R6, R7, 'n' and 'm' are as defined in Formula (I). The invention also relates to C-3 novel triterpenone with C-17 reverse amide derivatives, related compounds, and pharmaceutical compositions useful for the therapeutic treatment of viral diseases and particularly HIV mediated diseases.

  本发明涉及具有式（I）的C-17反酰胺化合物的C-3新型三萜酮，及其药学上可接受的盐，其中环式（II），R1、R2、R3、R4、R5、R6、R7，'n'和'm'如式（I）中所定义。该发明还涉及C-3新型三萜酮与C-17反酰胺衍生物、相关化合物和用于治疗病毒性疾病，特别是HIV介导疾病的药物组合物。
• [EN] CYSTEINE PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE CYSTEINE PROTEASE
  申请人：MEDIVIR AB

  公开号：WO2005066180A1

  公开（公告）日：2005-07-21

  A compound of the formula (II) wherein one of R1 and R2 is halo and the other is H or halo; R3 is C1-C4 straight or branched chain, optionally fluorinated, alkyl; R4 is H; or R3 together with R4 and the adjoining backbone carbon defines: a spiro-C5-C7 cycloalkyl, optionally substituted with 1 to 3 substituents selected from halo, hydroxyl, C1-C4 alkyl or C1-C4 haloalkyl; or optionally bridged with a methylene group; or a C4-C6 saturated heterocycle having a hetero atom selected from O, NRa, S, S(=O)2 ; where Ra is H, C1-C4 alkyl or CH3C(=O); R5 is independently selected from H or methyl; E is -C(=O)-, -S(=O)m-, -NR5S(=O)m-, -NR5C(=O)-, -OC(=O)-, R6 is a stable, optionally substituted, monocyclic or bicyclic, carbocycle or hetorocycle; m is independently 0,1 or 2; are inhibitors of cathepsin K and useful in the treatment or prophylaxis of osteoporosis.

  一个公式为(II)的化合物，其中R1和R2中的一个是卤素，另一个是H或卤素；R3是C1-C4直链或支链，可选择氟代的烷基；R4是H；或者R3与R4和相邻的骨架碳一起定义：一个螺环C5-C7环烷基，可选地用1至3个卤素、羟基、C1-C4烷基或C1-C4卤代烷基中的取代基取代；或者可选地用亚甲基桥接；或者是一个具有O、NRa、S、S(=O)2等异原子的C4-C6饱和杂环；其中Ra是H、C1-C4烷基或CH3C(=O)；R5独立地选择自H或甲基；E是-C(=O)-、-S(=O)m-、-NR5S(=O)m-、-NR5C(=O)-、-OC(=O)-；R6是稳定的、可选择取代的、单环或双环的、碳环或杂环；m独立地为0、1或2；是猫hepsin K的抑制剂，并且在骨质疏松症的治疗或预防中有用。
• Cysteine Protease Inhibitors
  申请人：Tickle David

  公开号：US20090023747A1

  公开（公告）日：2009-01-22

  A compound of the formula (II) wherein one of R 1 and R 2 is halo and the other is H or halo; R 3 is —C 1 -C 5 straight or branched chain, optionally fluorinated, alkyl or —CH 2 CR 5 C 3 -C 4 -Cycloalkyl; R 4 is H; R 5 is H, C 1 -C 2 alkyl, C 1 -C 2 haloalkyl, hydroxyl, OC 1 -C 2 alkyl, fluoro; R 6 is a stable, optionally substituted, monocyclic or bicyclic, carbocycle or heterocycle wherein the or each ring has 4, 5 or 6 ring atoms and 0 to 3 hetero atoms selected from S, O and N; Rb is haloalkyl; Rc is H or C 1 -C 4 alkyl; and pharmaceutically acceptable salts, hydrates or N-oxides thereof have utility in the treatment of disorders characterised by inappropriate expression or activation of cathepsin K, such as osteoporosis, osteoarthritis, rheumatoid arthritis or bone metastases.

  化合物的公式（II），其中R1和R2中的一个是卤素，另一个是氢或卤素; R3是直链或支链，可选择氟化的C1-C5烷基或-CH2CR5C3-C4环烷基; R4是氢; R5是氢，C1-C2烷基，C1-C2卤代烷基，羟基，OC1-C2烷基，氟; R6是稳定的，可选地取代的单环或双环，碳环或杂环，其中每个环具有4、5或6个环原子和0到3个从S、O和N中选择的杂原子; Rb是卤代烷基; Rc是氢或C1-C4烷基;以及其药学上可接受的盐，水合物或N-氧化物在治疗由于cathepsin K不适当的表达或激活而表现出来的疾病中具有用途，如骨质疏松症、骨关节炎、类风湿性关节炎或骨转移。
• Cysteine Protease inhibitors
  申请人：Nilsson Magnus

  公开号：US20080234260A1

  公开（公告）日：2008-09-25

  A compound of the formula II wherein one of R 1 and R 2 is halo and the other is H or halo; R 3 is C 1 -C 4 straight or branched chain, optionally fluorinated, alkyl; R 4 is H; or R 3 together with R 4 and the adjoining backbone carbon defines: a spiro-C 5 -C 7 cycloalkyl, optionally substituted with 1 to 3 substituents selected from halo, hydroxyl, C 1 -C 4 alkyl or C 1 -C 4 haloalkyl; or optionally bridged with a methylene group; or a C 4 -C 6 saturated heterocycle having a hetero atom selected from O, NRa, S, S(═O) 2 ; where Ra is H, C 1 -C 4 alkyl or CH 3 C(═O); R 5 is independently selected from H or methyl; E is —C(═O)—, —S(═O) m —, —NR 5 S(═O) m —, —NR 5 C(═O)—, —OC(═O)—, R 6 is a stable, optionally substituted, monocyclic or bicyclic, carbocycle or heterocycle; m is independently 0,1 or 2; are inhibitors of cathepsin K and useful in the treatment or prophylaxis of osteoporosis.

  化合物II的公式为其中R1和R2中的一个是卤素，另一个是氢或卤素;R3是C1-C4直链或支链，可选择氟代的烷基;R4是氢;或R3与R4和相邻的骨架碳一起定义:一个螺旋C5-C7环烷基，可选地被1至3个取代基所取代，所述取代基选自卤素、羟基、C1-C4烷基或C1-C4卤代烷基;或者可选地通过亚甲基基桥接;或者是一个C4-C6饱和杂环，其中杂原子选自O、NRa、S、S(═O)2;其中Ra是H、C1-C4烷基或CH3C(═O);R5是独立选择的H或甲基;E是—C(═O)—、—S(═O)m—、—NR5S(═O)m—、—NR5C(═O)—、—OC(═O)—;R6是稳定的、可选地取代的、单环或双环、碳环或杂环;m独立地为0、1或2;是猫hepsin K的抑制剂，用于治疗或预防骨质疏松症。
• CYSTEINE PROTEASE INHIBITORS
  申请人：Medivir Aktiebolag

  公开号：EP1701960A1

  公开（公告）日：2006-09-20