5-thiazolylmethyl[(1R,2S)-3[[(2-amino-6-benzoxaloyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamate | 1019330-02-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-thiazolylmethyl[(1R,2S)-3[[(2-amino-6-benzoxaloyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamate
• 英文别名: 1,3-thiazol-5-ylmethyl N-[(2R,3S)-4-[(2-amino-1,3-benzoxazol-6-yl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
• CAS: 1019330-02-9
• 化学式: C₂₆H₃₁N₅O₆S₂
• 分子量: 573.694
• InChiKey: YPGAJPWAVJQVQT-PKTZIBPZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  39
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  198
• 氢给体数：
  3
• 氢受体数：
  11

文献信息

• Use of a Sulfonamide Compound For Improving the Pharmacokinetics of a Drug
  申请人：Van 'T Klooster Gerben Albert Eleutherius

  公开号：US20080287488A1

  公开（公告）日：2008-11-20

  A method for improving the pharmacokinetics of drugs, which are metabolized by cytochrome P450 monooxygenase is disclosed. More specifically it relates to a method for improving the pharmacokinetics of retroviral protease inhibitors and in particular for improving the pharmacokinetics of human immunodeficiency virus (HIV) protease inhibitors. A pharmaceutical composition and its use in the manufacture of a medicament for the inhibition or treatment of an HIV infection or AIDS in a human being are also part of the invention.

  本发明揭示了一种改善通过细胞色素P450单加氧酶代谢的药物的药代动力学的方法。更具体地，它涉及一种改善逆转录病毒蛋白酶抑制剂药物代谢动力学的方法，特别是针对改善人类免疫缺陷病毒（HIV）蛋白酶抑制剂药物代谢动力学的方法。本发明还涉及一种制药组合物及其在制造用于抑制或治疗人类免疫缺陷病毒感染或艾滋病的药物中的使用。
• BROADSPECTRUM 2-AMINO-BENZOXAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS
  申请人：SURLERAUX Dominique Louis Nestor Ghislain

  公开号：US20100029632A1

  公开（公告）日：2010-02-04

  The present invention concerns the compounds having the formula N-oxides, salts, stereoisomeric forms, racemic mixtures, prodrugs, esters and metabolites thereof, wherein R 1 and R 8 each are H, optionally substituted C 1-6 alkyl, C 2-6 alkenyl, C 3-7 cycloalkyl, aryl, Het 1 , Het 2 ; R 1 may also be a radical of formula (R 11a R 11b )NC(R 10a R 10b )CR 9 —; t is 0, 1 or 2; R 2 is H or C 1-6 alkyl; L is —C(═O)—, —O—C(═O)—, —NR 8 —C(═O)—, —O—C 1-6 alkanediyl-C(═O)—, —NR 8 —C 1-6 alkanediyl-C(═O)—, —S(═O) 2 —, —O—S(═O) 2 —, —NR 8 —S(═O) 2 ; R 3 is C 1-6 alkyl, aryl, C 3-7 cycloalkyl, C 3-7 cycloalkylC 1-4 alkyl, or arylC 1-4 alkyl; R 4 is H, C 1-4 alkylOC(═O), carboxyl, aminoC(═O), mono- or di(C 1-4 alkyl)aminoC(═O), C 3-7 cycloalkyl, C 2-6 alkenyl, C 2-6 alkynyl or optionally substituted C 1-6 alkyl; R 5 and R 6 are H or C 1-6 alkyl. It further relates to their use as broadspectrum HIV protease inhibitors, processes for their preparation as well as pharmaceutical compositions and diagnostic kits comprising them. It also concerns combinations thereof with another anti-retroviral agent, and to their use in assays as reference compounds or as reagents.

  本发明涉及具有以下公式的化合物：N-氧化物、盐、立体异构体、混合物、前药、酯及其代谢物，其中R1和R8分别为H、可选取代的C1-6烷基、C2-6烯基、C3-7环烷基、芳基、Het1、Het2；R1还可以是公式（R11aR11b）NC（R10aR10b）CR9—的基团；t为0、1或2；R2为H或C1-6烷基；L为—C（═O）—、—O—C（═O）—、—NR8—C（═O）—、—O—C1-6烷二基-C（═O）—、—NR8—C1-6烷二基-C（═O）—、—S（═O）2—、—O—S（═O）2—、—NR8—S（═O）2；R3为C1-6烷基、芳基、C3-7环烷基、C3-7环烷基C1-4烷基或芳基C1-4烷基；R4为H、C1-4烷基OC（═O）、羧基、氨基C（═O）、单烷基或二烷基氨基C（═O）、C3-7环烷基、C2-6烯基、C2-6炔基或可选取代的C1-6烷基；R5和R6为H或C1-6烷基。本发明还涉及它们作为广谱HIV蛋白酶抑制剂的用途，以及它们的制备方法、包含它们的制药组合物和诊断试剂盒。它还涉及与其他抗逆转录病毒药物的组合，以及它们作为参考化合物或试剂在检测中的使用。
• BIOAVAILABLE COMBINATIONS FOR HCV TREATMENT
  申请人：Van't Klooster Gerben Albert Eleutherius

  公开号：US20120220520A1

  公开（公告）日：2012-08-30

  The present invention relates to the combination comprising an HCV NS3/4a protease inhibitor and a compound of formula (II). The combination is useful to improve the bioavailability of the HCV NS3/4a protease inhibitor. As such, the combination is useful for treating conditions associated with the Hepatitis C virus in patients. Pharmaceutical compositions and kits comprising this combination, and processes for preparing the combination and the pharmaceutical formulations are also provided.
• US7622490B2
  申请人：——

  公开号：US7622490B2

  公开（公告）日：2009-11-24
• US7863306B2
  申请人：——

  公开号：US7863306B2

  公开（公告）日：2011-01-04