N-(2-cyanoethyl)-4-[6-(4-hydroxy-3-methylphenyl)-2-oxo-2,3-dihydropyrimidin-4-yl]benzamide | 1076184-78-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N-(2-cyanoethyl)-4-[6-(4-hydroxy-3-methylphenyl)-2-oxo-2,3-dihydropyrimidin-4-yl]benzamide
• 英文别名: N-(2-cyanoethyl)-4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]benzamide
• CAS: 1076184-78-5
• 化学式: C₂₁H₁₈N₄O₃
• 分子量: 374.399
• InChiKey: GXEQPAAXUBUPMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  115
• 氢给体数：
  3
• 氢受体数：
  4

文献信息

• [EN] HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS<br/>[FR] COMPOSES PYRIDOPYRROLOPYRAZINE DIONE HYDROXY UTILES COMME INHIBITEURS DE L'INTEGRASE DU VIH
  申请人：MERCK & CO INC

  公开号：WO2005041664A1

  公开（公告）日：2005-05-12

  Hydroxy-substituted pyridopyrrolopyrazine dione compounds are inhibitors of HIV integrase and inhibitors of HIV replication. In one embodiment, the dione compounds are of Formula (I): (I) wherein a, b, A, B, R1, R2, R3, R4, R5, R6, R7 and R8 are defined herein. The compounds are useful in the prevention and treatment of infection by HIV and in the prevention, delay in the onset, and treatment of AIDS. The compounds are employed against HIV infection and AIDS as compounds per se or in the form of pharmaceutically acceptable salts. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.

  羟基取代的吡啶吡咯吡唑二酮化合物是HIV整合酶的抑制剂，也是HIV复制的抑制剂。在一个实施例中，二酮化合物具有以下式（I）：（I）其中a、b、A、B、R1、R2、R3、R4、R5、R6、R7和R8在此处定义。这些化合物对预防和治疗HIV感染以及预防、延迟发病和治疗艾滋病具有用处。这些化合物可作为化合物本身或作为药学上可接受的盐的形式用于对抗HIV感染和艾滋病。这些化合物及其盐可作为药物组合物中的成分，可选择性地与其他抗病毒药物、免疫调节剂、抗生素或疫苗结合使用。
• SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11bR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11b-HEXAHYDRO-1H-PYRIDO[2,1-a]ISOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE)
  申请人：Neurocrine Biosciences, Inc.

  公开号：US20170183346A1

  公开（公告）日：2017-06-29

  Provided herein are processes for the preparation of (S)-(2R,3R,11bR-3-isobuty-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl 2-amino-3-methylbutanoate di(4-methylbenzenesulfonate), or a solvate, hydrate, or polymorph thereof.

  本文提供了一种制备(S)-(2R,3R,11bR-3-异丁基-9,10-二甲氧基-2,3,4,6,7,11b-六氢-1H-吡啶并[2,1-a]异喹啉-2-基)2-氨基-3-甲基丁酸二(对甲苯磺酸盐)或其溶剂结晶体、水合物或多晶形态的方法。
• 6-Phenylpyrimidinones as PIM Modulators
  申请人：Tsuhako Amy L.

  公开号：US20100135954A1

  公开（公告）日：2010-06-03

  A compound having Formula I or II (Formula I) or (Formula II), or a pharmaceutically acceptable salt thereof, wherein X, Z, R 1 , R 2 , R 11 and R 12 are as defined in the specification; pharmaceutical compositions thereof; and methods of use thereof.

  一种具有化学式I或II（化学式I）或（化学式II）的化合物，或其药学上可接受的盐，其中X、Z、R1、R2、R11和R12如规范中定义；其药物组成物；以及其使用方法。
• Synthetic methods for preparation of (S)-(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl 2-amino-3-methylbutanoate di(4-methylbenzenesulfonate)
  申请人：Neurocrine Biosciences, Inc.

  公开号：US10160757B2

  公开（公告）日：2018-12-25

  Provided herein are processes for the preparation of (S)-(2R,3R,11bR-3-isobuty-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl 2-amino-3-methylbutanoate di(4-methylbenzenesulfonate), or a solvate, hydrate, or polymorph thereof.

  本文提供了制备(S)-(2R,3R,11bR-3-异丁基-9,10-二甲氧基-2,3,4,6,7,11b-六氢-1H-吡啶并[2,1-a]异喹啉-2-基 2-氨基-3-甲基丁酸二(4-甲基苯磺酸)酯或其溶液、水合物或多晶型物的工艺。
• NAPHTHALENE DERIVATIVES
  申请人：PFIZER INC.

  公开号：EP0689536A1

  公开（公告）日：1996-01-03