帕利那韦 | 154612-39-2

• 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
• 中文名称: 帕利那韦
• 英文名称: palinavir
• 英文别名: N-[(2S)-1-[[(2S,3R)-4-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(pyridin-4-ylmethoxy)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide
• CAS: 154612-39-2
• 化学式: C₄₁H₅₂N₆O₅
• 分子量: 708.901
• InChiKey: RXBWRFDZXRAEJT-SZNOJMITSA-N

物化性质

• 沸点：
  971.5±65.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  52
• 可旋转键数：
  15
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  146
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  喹醛酰氯 在 N-甲基吗啉 、 甲基叔丁基醚 、 sodium carbonate 、 氯甲酸异丁酯 作用下， 以 水 为溶剂， 反应 4.5h， 生成 帕利那韦
  参考文献：
  名称：

  Practical, Stereoselective Synthesis of Palinavir, a Potent HIV Protease Inhibitor

  摘要：

  Palinavir is a potent peptidomimetic-based HIV protease inhibitor. We have developed a highly convergent and stereoselective synthesis which is amenable to the preparation of multikilogram quantities of this compound. The synthetic sequence proceeds in 24 distinct chemical steps (with several integrated, multistep operations) from commercially available starting materials. No chromatographies are required throughout the process, and the final product is purified by crystallization of its dihydrochloride salt to >99% homogeneity.

  DOI：

  10.1021/jo9702655

文献信息

• PROCESS FOR SYNTHESIS OF SYN AZIDO EPOXIDE AND ITS USE AS INTERMEDIATE FOR THE SYNTHESIS OF AMPRENAVIR & SAQUINAVIR
  申请人：Council of Scientific & Industrial Research

  公开号：US20150011782A1

  公开（公告）日：2015-01-08

  Disclosed herein is a novel route of synthesis of syn azide epoxide of formula 5, which is used as a common intermediate for asymmetric synthesis of HIV protease inhibitors such as Amprenavir, Fosamprenavir, Saquinavir and formal synthesis of Darunavir and Palinavir obtained by Cobalt-catalyzed hydrolytic kinetic resolution of racemic anti-(2SR,3SR)-3-azido-4-phenyl-1,2-epoxybutane (azido-epoxide).

  本文披露了一种合成公式5的syn叠氮环氧化物的新路线，该化合物被用作HIV蛋白酶抑制剂的不对称合成的常见中间体，如Amprenavir、Fosamprenavir、Saquinavir以及通过钴催化的拆分手性反式-(2SR,3SR)-3-叠氮-4-苯基-1,2-环氧丁烷(叠氮环氧化物)合成Darunavir和Palinavir。
• [EN] ANTIBODY-DRUG CONJUGATES AND THERAPEUTIC METHODS USING THE SAME<br/>[FR] CONJUGUÉS ANTICORPS-MÉDICAMENT ET PROCÉDÉS THÉRAPEUTIQUES UTILISANT CEUX-CI
  申请人：GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO 2) LTD

  公开号：WO2018002902A1

  公开（公告）日：2018-01-04

  The invention discloses an antibody-drug conjugate of Formula (I): (I) Ab-[L-Dn]x wherein: Ab comprises a broadly neutralizing anti-HIV antibody; L comprises a linker molecule covalently bonded to said broadly neutralizing anti-HIV antibody; D comprises one or more drugs comprising an HIV therapeutic compound covalently bonded to said linker molecule L, wherein said one or more broadly neutralizing anti-HIV antibodies Ab specifically bind to an HIV envelope glycoprotein and said one or more drugs D specifically bind to an HIV envelope glycoprotein; n is selected from 1-4; and x is selected from 1-12.

  该发明公开了一种公式（I）的抗体药物偶联物：（I）Ab-[L-Dn]x，其中：Ab包括一种广谱中和抗HIV抗体；L包括与所述广谱中和抗HIV抗体共价结合的连接子分子；D包括与所述连接子分子L共价结合的一种或多种包含HIV治疗化合物的药物，其中所述一种或多种广谱中和抗HIV抗体Ab特异性地结合到HIV包膜糖蛋白，并且所述一种或多种药物D特异性地结合到HIV包膜糖蛋白；n选自1-4；x选自1-12。
• [EN] HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS<br/>[FR] AMIDES HÉTÉROCYCLIQUES UTILES EN TANT QUE MODULATEURS DE PROTÉINE
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2017175147A1

  公开（公告）日：2017-10-12

  Disclosed are compounds having the formula (I-N), wherein q, r, s, A, B, C, RA1, RA2, RB1, RB2, RC1, RC2, R3, R4, R5, R6, R14, R15, R16, and R17, are as defined herein, or a tautomer thereof, or a salt, particularly a pharmaceutically acceptable salt, thereof.

  揭示了具有化学式（I-N）的化合物，其中q、r、s、A、B、C、RA1、RA2、RB1、RB2、RC1、RC2、R3、R4、R5、R6、R14、R15、R16和R17如本文所定义，或其互变异构体，或其盐，特别是其药用可接受盐。
• [EN] MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) USEFUL IN TREATING HIV<br/>[FR] MODULATEURS DE STIMULATEUR DES GÈNES (STING) D'INTERFÉRON UTILES DANS LE TRAITEMENT DU VIH
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2019069269A1

  公开（公告）日：2019-04-11

  Disclosed are compounds having the formula: (I-N) wherein q, r, s, A, B, C, RA1, RA2, RB1, RB2, RC1, RC2, R3, R4, R5, R6, R14, R15, R16, and R17, are as defined herein, or a tautomer thereof, or a salt, particularly a pharmaceutically acceptable salt, thereof, along with combinations thereof, all of which are useful in HIV therapies.

  揭示了具有以下式的化合物：(I-N)其中q、r、s、A、B、C、RA1、RA2、RB1、RB2、RC1、RC2、R3、R4、R5、R6、R14、R15、R16和R17如本文所定义，或其互变异构体，或其盐，特别是其药用可接受盐，以及其组合物，所有这些在HIV疗法中是有用的。
• [EN] COMPOUNDS USEFUL IN HIV THERAPY<br/>[FR] COMPOSÉS UTILES DANS LA THÉRAPIE DU VIH
  申请人：GLAXOSMITHKLINE IP NO 2 LTD

  公开号：WO2020044257A1

  公开（公告）日：2020-03-05

  The invention relates to compounds of Formulae (I), (Ia), (II) and (IIa), salts thereof, pharmaceutical compositions thereof, as well as methods of treating or preventing HIV in subjects.

  这项发明涉及式(I)、(Ia)、(II)和(IIa)的化合物，以及它们的盐、药物组合物，以及在受试者中治疗或预防HIV的方法。