Elvitegravir-d6 (Major)

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: Elvitegravir-d6 (Major)
• 英文别名: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxoquinoline-3-carboxylic acid
• 化学式: C₂₃H₂₃ClFNO₅
• mdl: MFCD11846134
• 分子量: 447.9
• InChiKey: JUZYLCPPVHEVSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.304
• 拓扑面积：
  87.1
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• PROCESS FOR PRODUCTION OF 4-OXOQUINOLINE COMPOUND
  申请人：Matsuda Koji

  公开号：US20090318702A1

  公开（公告）日：2009-12-24

  The present invention provides a compound useful as a synthetic intermediate for an anti-HIV agent having an integrase inhibitory activity, a production method thereof, and a production method of an anti-HIV agent using the synthetic intermediate. Specifically, the present invention provides, for example, compounds represented by the formulas (6), (7-1), (7-2) and (8): wherein R is a fluorine atom or a methoxy group, R 1 is a C 1 -C 4 alkyl group, R 2 is a hydroxyl-protecting group, and X 2 is a halogen atom, a production method thereof, and a production method of an anti-HIV agent using the synthetic intermediate.

  本发明提供了一种化合物，可用作具有整合酶抑制活性的抗HIV药物的合成中间体，其生产方法，以及使用该合成中间体制备抗HIV药物的生产方法。具体来说，本发明提供了例如由以下公式表示的化合物（6），（7-1），（7-2）和（8）： 其中R为氟原子或甲氧基，R1为C1-C4烷基，R2为羟基保护基，X2为卤原子，其生产方法，以及使用该合成中间体制备抗HIV药物的生产方法。
• Hydrogen Bond Directed Photocatalytic Hydrodefluorination and Methods of Use Thereof
  申请人：The Board of Regents for Oklahoma State University

  公开号：US20200399196A1

  公开（公告）日：2020-12-24

  Methods of synthesizing compounds comprising fluorinated aryl groups are disclosed, wherein said methods utilize hydrogen bond directed photocatalytic hydrodefluorination.

  揭示了合成含氟芳基化合物的方法，其中所述方法利用氢键定向的光催化脱氟化反应。
• [EN] A NEW PRODUCTION METHOD AND NEW INTERMEDIATES OF SYNTHESIS OF ELVITEGRAVIR<br/>[FR] NOUVEAU PROCÉDÉ DE PRODUCTION ET NOUVEAUX INTERMÉDIAIRES DE SYNTHÈSE D'ELVITEGRAVIR
  申请人：ZENTIVA KS

  公开号：WO2014056464A1

  公开（公告）日：2014-04-17

  The present solution relates to an improved production method of elvitegravir of formula I, which is being clinically evaluated for treatment of HIV infection. Elvitegravir of formula I is produced via the intermediate of formula II, the preparation of which is also an object of the present solution.

  本解决方案涉及一种改进的公式I的elvitegravir生产方法，该方法正在临床评估用于治疗HIV感染。公式I的elvitegravir是通过公式II的中间体生产的，该中间体的制备也是本解决方案的目标。
• [EN] COMBINATIONS COMPRISING A 4-ISOQUINOLONE DERIVATIVE AND ANTI-HIV AGENTS<br/>[FR] ASSOCIATIONS COMPRENANT UN DÉRIVÉ DE 4-ISOQUINOLONE ET DES AGENTS ANTI-VIH
  申请人：JAPAN TOBACCO INC

  公开号：WO2005112930A1

  公开（公告）日：2005-12-01

  The present invention relates to a combination therapy for treating an HIV infection or inhibiting integrase comprising (S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxymethyl-2-methylpropyl)-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ('Compound A') or a pharmaceutically acceptable solvate or salt thereof in combination with at least one other anti-HIV agent. In some embodiments of the present invention, the other anti-HIV agents are chosen from reverse transcriptase inhibitors and protease inhibitors. In certain embodiments of the present invention, the other anti-HIV agents are chosen from AZT, 3TC, PMPA, efavirenz, indinavir, nelfinavir, a combination of AZT/3TC, and a combination of PMPA/3TC. Since Compound A has a high inhibitory activity specific for integrases, when used in combinations with other anti-HIV agents it can provide a combination therapy with fewer side effects for humans.

  本发明涉及一种用于治疗HIV感染或抑制整合酶的联合疗法，包括（S）-6-(3-氯-2-氟苄基)-1-(1-羟甲基-2-甲基丙基)-7-甲氧基-4-氧代-1,4-二氢喹啉-3-羧酸（'化合物A'）或其药学上可接受的溶剂化合物或盐，与至少一种其他抗HIV药物结合使用。根据本发明的某些实施方式，其他抗HIV药物可选择自逆转录酶抑制剂和蛋白酶抑制剂。在本发明的某些实施方式中，其他抗HIV药物可选择自AZT、3TC、PMPA、依非利韦、印地那韦、奈非那韦、AZT/3TC的组合和PMPA/3TC的组合。由于化合物A对整合酶具有高抑制活性，当与其他抗HIV药物结合使用时，可以为人类提供具有更少副作用的联合疗法。
• 3-HYDROXYPYRIMIDINE-2,4-DIONE-5-CARBOXAMIDES AS POTENT INHIBITORS OF HIV
  申请人：Regents of the University of Minnesota

  公开号：US20180028535A1

  公开（公告）日：2018-02-01

  Various embodiments described herein are directed to compounds of formula (I), (II), (III) or (IV) for use as potent inhibitors of HIV integrase and for treatment of patients afflicted with AIDS. A major challenge of human immunodeficiency virus (HIV) chemotherapy continues to be the inevitable selection of resistance by the virus towards known drug regimens. Treating resistant HIV strains calls for novel antivirals with unique structural cores. Some embodiments are directed to compounds featuring a 3-hydroxypyrimidine-2,4-dione-5-carboxamide core that consistently confers low nanomolar potencies against HIV-1 in cell culture. Biochemical testing and molecular modeling results corroborate an antiviral mechanism of action of inhibiting integrase strand transfer (INST). Preliminary testing against raltegravir-resistant HIVs showed marginal cross resistance, suggesting that the chemotypes of the various embodiments described herein could fit an inhibitory profile of second generation INSTIs.

  本文描述的各种实施例涉及公式（I）、（II）、（III）或（IV）的化合物，用作HIV整合酶的有效抑制剂，并用于治疗患有艾滋病的患者。人类免疫缺陷病毒（HIV）化疗的一个主要挑战仍然是病毒对已知药物方案的抗药性的不可避免选择。治疗耐药HIV毒株需要具有独特结构核心的新型抗病毒药物。一些实施例涉及具有3-羟基嘧啶-2,4-二酮-5-羧酰胺核心的化合物，在细胞培养中始终表现出对HIV-1的低纳摩尔潜力。生化测试和分子建模结果证实了一种抗病毒作用机制，即抑制整合酶链转移（INST）。对抗拉替尼耐药HIV的初步测试显示了边缘性交叉耐药性，表明本文描述的各种实施例的化合物类型可能符合第二代INSTI的抑制特性。