Boc-3,4,5-三氟-L-苯丙氨酸 | 205445-54-1

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 丙氨酸类衍生物
• 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: Boc-3,4,5-三氟-L-苯丙氨酸
• 中文别名: Boc-L-3,4,5-三氟苯基丙氨酸；BOC-L-3,4,5-三氟苯基丙氨酸
• 英文名称: (S)-2-tert-Butoxycarbonylamino-3-(3,4,5-trifluoro-phenyl)-propionic acid
• 英文别名: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3,4,5-trifluorophenyl)propanoic acid
• CAS: 205445-54-1
• 化学式: C₁₄H₁₆F₃NO₄
• 分子量: 319.281
• InChiKey: CWPLICWOIFEQMR-JTQLQIEISA-N

物化性质

• 沸点：
  424.4±45.0 °C(Predicted)
• 密度：
  1.323±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  7

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2924299090
• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P362,P403+P233,P501
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  Boc-3,4,5-三氟-L-苯丙氨酸 在 PS-carbodiimide resin 、 PS-DIEA resin 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.75h， 生成 tert-butyl N-[(2S)-1-[[(2S)-5-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]-1-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-1-oxo-3-(3,4,5-trifluorophenyl)propan-2-yl]carbamate
  参考文献：
  名称：

  Polymer-Assisted Solution-Phase Library Synthesis and Crystal Structure of α-Ketothiazoles as Tissue Factor VIIa Inhibitors

  摘要：

  A solution-phase synthesis of an alpha-ketothiazole library of the general form D-Phe-L-AA-Arg-alpha-ketothiazole is described. The five-step synthesis is accomplished using a combination of polymeric reagents and polymer-assisted solution-phase purification concepts, including reactant-sequestering resins, reagent-sequestering resins, and tagged reagents. The multistep synthesis affords desired alpha-ketothiazole products in excellent purities and yields. A variety of L-amino acid inputs were used to probe the S-2 pocket of tissue Factor VIIa enzyme to influence both potency and selectivity. An X-ray crystal structure of compound 10k bound to the TF/ VIIa complex was obtained that explains the observed selectivity. The alpha-ketothiazoles were found to be potent, reversible-covalent inhibitors of tissue Factor VIIa, with some analogues demonstrating selectivity over thrombin.

  DOI：

  10.1021/jm030130t

文献信息

• [EN] INHIBITORS OF AKT ACTIVITY<br/>[FR] INHIBITEURS D'ACTIVITÉ AKT
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2009032652A1

  公开（公告）日：2009-03-12

  Invented are novel substituted pyridine compounds, the use of such compounds as inhibitors of protein kinase B activity and in the treatment of cancer and arthritis.

  已发明了新型替代吡啶化合物，这些化合物被用作蛋白激酶B活性的抑制剂，并在癌症和关节炎的治疗中使用。
• HYDROXYETHYLAMINO SULFONAMIDE DERIVATIVES
  申请人：Harbeson Scott L.

  公开号：US20100305173A1

  公开（公告）日：2010-12-02

  This invention relates to novel hydroxyethylamino sulfonamides, their derivatives, pharmaceutically acceptable salts thereof. This invention also provides compositions comprising a compound of this invention and the use of such compositions in methods of treating diseases and conditions that are beneficially treated by administering a compound with the ability to act as an HIV (human immunodeficiency virus) protease inhibitor.

  本发明涉及一种新型的羟乙基氨基磺酰胺及其衍生物、其药学上可接受的盐。本发明还提供了包含本发明化合物的组合物，并使用这些组合物治疗通过给予具有作为HIV（人类免疫缺陷病毒）蛋白酶抑制剂能力的化合物有益的疾病和病况的方法。
• FLUORINATED GHRH ANTAGONISTS
  申请人：University of Miami

  公开号：EP2478011A1

  公开（公告）日：2012-07-25
• STABILIZED MINIMAL COILED-COIL MIMETICS
  申请人：New York University

  公开号：EP3303367A1

  公开（公告）日：2018-04-11
• METHOD OF CONTROLLING FUNGAL INFECTIONS IN PLANTS
  申请人：THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRCULTURAL L RESEARCH ORGANIZA

  公开号：US20190246639A1

  公开（公告）日：2019-08-15

  A method of controlling a fungus infection in a plant susceptible to Botrytis infection is provided. The method comprising applying to the plant an effective amount of a phenylalanine or an analog thereof for controlling said fungus infection in the plant.