1-(N-tert-butyloxycarbonyl-amino)-2-(S)-phenylethyl methyl ketone | 860312-99-8

• 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: 1-(N-tert-butyloxycarbonyl-amino)-2-(S)-phenylethyl methyl ketone
• 英文别名: BOC-3-amino-4-phenyl-2-butanone；3-{N-Boc-amino}-4-phenylbutane-2-one；tert-butyl N-(3-oxo-1-phenylbutan-2-yl)carbamate
• CAS: 860312-99-8
• 化学式: C₁₅H₂₁NO₃
• 分子量: 263.337
• InChiKey: DMMVKJGUXXSORJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(N-tert-butyloxycarbonyl-amino)-2-(S)-phenylethyl methyl ketone 在 三氟乙酸 作用下， 生成 3-氨基-4-苯基-2-丁酮
  参考文献：
  名称：

  Peptide inhibitors of IKB protease: Modification of the C-termini of Z-LLF-CHO

  摘要：

  A series of tripeptides (Z-LLF-R) with various modifications at their C-terminus were synthesized and evaluated for their ability to prevent the activation of NF-kappa B through inhibition of I kappa B protease. Of the compounds evaluated only the C-terminal aldehydes 5a,b were active in our Jurkat T-cell based assay. Compound 5a also decreased IL-2 and IL-8 levels in these cells indicating that inhibitors of I kappa B protease can have an effect on various signaling pathways. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00559-8
• 作为产物：
  描述：

  BOC-L-苯丙氨酸 、 甲基锂 生成 1-(N-tert-butyloxycarbonyl-amino)-2-(S)-phenylethyl methyl ketone
  参考文献：
  名称：

  SHUMAN, R. T.

  摘要：

  DOI：

文献信息

• Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease
  申请人：Barrow C. James

  公开号：US20070142634A1

  公开（公告）日：2007-06-21

  The present invention is directed to phenylamide and pyridylamide derivative compounds of which are inhibitors of the beta-secretase enzyme and that are useful in the treatment of diseases in which the beta-secretase enzyme is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the treatment of such diseases in which the beta-secretase enzyme is involved.

  本发明涉及苯胺和吡啶胺衍生物化合物，这些化合物是β-分泌酶的抑制剂，并且在治疗涉及β-分泌酶的疾病，如阿尔茨海默病中有用。该发明还涉及包含这些化合物的药物组合物，以及在治疗涉及β-分泌酶的这类疾病中使用这些化合物和组合物。
• [EN] 2-AMINO-N-(ARYLSULFINYL)-ACETAMIDE COMPOUNDS AS INHIBITORS OF BACTERIAL AMINOACYL-TRNA SYNTHETASE<br/>[FR] COMPOSÉS DE 2-AMINO-N- (ARYLSULFINYL)-ACÉTAMIDE EN TANT QU'INHIBITEURS DE L'AMINOACYL-ARNT SYNTHÉTASE BACTÉRIENNE
  申请人：OXFORD DRUG DESIGN LTD

  公开号：WO2018065611A1

  公开（公告）日：2018-04-12

  The present invention pertains generally to the field of therapeutic compounds. More specifically the present invention pertains to certain 2-amino-N-(arylsulfinyl)- acetamide compounds that, inter alia, inhibit (e.g., selectively inhibit) bacterial aminoacyl- tRNA synthetase (aaRS) (e.g., bacterial leucyl-t RNA synthetase, LeuRS). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit (e.g., selectively inhibit) bacterial aminoacyl-tRNA synthetase; to treat disorders that are ameliorated by the inhibition (e.g., selective inhibition) of bacterial aminoacyl-tRNA synthetase; to treat bacterial infections; etc.

  本发明一般涉及治疗化合物领域。更具体地，本发明涉及某些2-氨基-N-(芳基砜基)-乙酰胺类化合物，该化合物在诸多方面抑制（例如，选择性抑制）细菌氨酰-tRNA合成酶（aaRS）（例如，细菌亮氨酰-tRNA合成酶，LeuRS）。本发明还涉及包含这些化合物的药物组合物，以及在体外和体内使用这些化合物和组合物来抑制（例如，选择性抑制）细菌氨酰-tRNA合成酶；治疗通过抑制（例如，选择性抑制）细菌氨酰-tRNA合成酶而得到改善的疾病；治疗细菌感染等。
• A Practical Procedure for the Multigram Synthesis of the SuperQuat Chiral Auxiliaries
  作者：Steven D. Bull、Stephen G. Davies、Simon Jones、Mario E. C. Polywka、R. Shyam Prasad、Hitesh J. Sanganee

  DOI：10.1055/s-1998-1700

  日期：1998.5

  An efficient and simple synthesis of oxazolidin-2-one SuperQuat chiral auxiliaries is described which provides rapid access to multigram quantities of the auxiliaries.

  介绍了一种高效、简单的噁唑烷-2-酮 SuperQuat 手性助剂合成方法，可快速获得多克量的助剂。
• The γ-methyl-E-olefin as isosteric replacement of the peptide bond
  作者：Serge Devadder、Patricia Verheyden、Hendrika C.M. Jaspers、Georges Van Binst、Dirk Tourwé

  DOI：10.1016/0040-4039(95)02247-3

  日期：1996.1

  Different olefination methods on Boc-phenylalanine methyl ketone for the synthesis of γ-methyl-E-olefin Phe-Gly isosteres are investigated. The Horner phosphonate reagent gave the highest yield of E-isomer. The conformational behaviour of four tetrapeptides containing the E-olefin isostere with and without a vinyl methyl group is studied by 1H NMR. No evidence for turn structures is found.

  研究了在Boc-苯丙氨酸甲基酮上不同的烯烃合成方法，用于合成γ-甲基-E-烯烃Phe-Gly等位异构体。霍纳膦酸酯试剂给出了最高的E-异构体收率。通过1 H NMR研究了具有和不具有乙烯基甲基的四个含有E-烯烃等排体的四肽的构象行为。找不到转弯结构的证据。
• Renin inhibiting compounds
  申请人：ABBOTT LABORATORIES

  公开号：EP0172347A2

  公开（公告）日：1986-02-26

  The invention relates to renin inhibiting compounds of the formula wherein A is an N-protecting group; n is 0 or 1; B is hydrogen, hydroxy, NH, loweralkyl or arylalkyl; with the proviso that when A is an N-protecting group, B is NH and when n is 0, B is hydrogen, hydroxy, loweralkyl or arylalkyl; R,, R3 and R5 are loweralkyl or hydrophilic, lipophilic or aromatic amino acid side chains and may be the same or different; R2, R4,R7, R8 and Rs are hydrogen or loweralkyl and may be the same or different; X is NH, 0, S, SO or SO2; and R6 is loweralkyl, cycloalkyl, cycloalkylalkyl, aryl, arylalkyl or an N-protecting group, with the proviso that R6 may be an N-protecting group when X is NH.

  本发明涉及式如下的肾素抑制化合物 其中 A 是 N 保护基团；n 是 0 或 1；B 是氢、羟基、NH、低级烷基或芳基烷基；但当 A 是 N 保护基团时，B 是 NH，当 n 是 0 时，B 是氢、羟基、低级烷基或芳基烷基；R、、R3 和 R5 是低级烷基或亲水、亲油或芳香氨基酸侧链，可以相同或不同；R2、R4、R7、R8 和 Rs 为氢或低级烷基，可以相同或不同；X 为 NH、0、S、SO 或 SO2；R6 为低级烷基、环烷基、环烷基烷基、芳基、芳烷基或 N 保护基团，但当 X 为 NH 时，R6 可以是 N 保护基团。