2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionic acid benzyl ester | 862404-76-0

• 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
• 英文名称: 2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionic acid benzyl ester
• 英文别名: benzyl 2-(1,1-dimethylethoxycarbonylamino)-3-(3-indolyl)propionate；benzyl 2-(1,1-dimethylethoxy carbonylamino)-3-(3-indolyl)propionate；Nα-Boc-tryptophan benzyl ester；benzyl 3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• CAS: 862404-76-0
• 化学式: C₂₃H₂₆N₂O₄
• 分子量: 394.47
• InChiKey: CEMCPAAFDOVLDW-UHFFFAOYSA-N

物化性质

• 沸点：
  591.0±50.0 °C(Predicted)
• 密度：
  1.205±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  29
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  80.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-碘戊烷 、 2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionic acid benzyl ester 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 2-t-butoxycarbonylamino-3-(1-pentyl-1H-indol-3-yl)propionic acid benzyl ester
  参考文献：
  名称：

  EP1707560

  摘要：

  公开号：
• 作为产物：
  描述：

  O-苯甲基-N,N'-二异丙基异脲 、 BOC-tryptophane 以 四氢呋喃 为溶剂， 反应 0.08h， 以94%的产率得到2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionic acid benzyl ester
  参考文献：
  名称：

  Microwave-Accelerated O-Alkylation of Carboxylic Acids with O-Alkylisoureas

  摘要：

  Microwave-assisted beta-alkylations of several carboxylic acids have been performed with three different beta-alkylisoureas. All reactions are significantly faster compared to conventionally heated reactions, while retaining high chemoselectivity. The combination of microwave technology with the use of the solid-supported isourea 3 enables the synthetic chemist to obtain the pure methyl esters starting from the corresponding acids in less than an hour.

  DOI：

  10.1021/ol0263705

文献信息

• [EN] A CONJUGATE OF AN AMANITA TOXIN WITH BRANCHED LINKERS<br/>[FR] CONJUGUÉ D'UNE TOXINE D'AMANITE AVEC DES LIEURS RAMIFIÉS
  申请人：HANGZHOU DAC BIOTECH CO LTD

  公开号：WO2020155017A1

  公开（公告）日：2020-08-06

  Provided herein is the conjugation of an amanita toxin compound to a cell-binding molecule with branched linkers for having better targeted treatment of abnormal cells. It also relates to a branched-linkage method of conjugation of an amanita molecule to a cell-binding ligand, as well as methods of using the conjugate in targets treatment of cancer, infection and autoimmune disease.

  本文提供了一种将鹅膏菌毒素化合物与具有分支连接物的细胞结合分子结合，以实现更好地针对异常细胞进行治疗。它还涉及将鹅膏菌分子与细胞结合配体结合的分支连接方法，以及在癌症、感染和自身免疫疾病治疗中使用该结合物的方法。
• Compounds and inhibitors of phospholipases
  申请人：——

  公开号：US20040033995A1

  公开（公告）日：2004-02-19

  The present invention relates generally to amino acid derivatives and to methods of making the same. In particular, the invention relates to compounds bearing a stereochemical identity, that is, the same stereochemistry, with the chiral &agr;-carbon of D-&agr;-amino acids and their use in methods of therapy, including the treatment of inflammatory diseases, and to compositions and enantiomeric mixtures containing them.

  本发明一般涉及氨基酸衍生物及其制备方法。具体而言，该发明涉及具有立体化学特性的化合物，即与D-α-氨基酸的手性α-碳具有相同立体化学的化合物，以及它们在治疗方法中的应用，包括治疗炎症性疾病，以及含有它们的组合物和对映体混合物。
• [EN] COMPOUNDS AND INHIBITORS OF PHOSPHOLIPASES<br/>[FR] COMPOSES ET INHIBITEURS DE PHOSPHOLIPASES
  申请人：UNIV QUEENSLAND

  公开号：WO2002008189A1

  公开（公告）日：2002-01-31

  The present invention relates generally to amino acid derivatives and to methods of making the same. In particular, the invention relates to compounds bearing a stereochemical identity, that is, the same stereochemistry, with the chiral α-carbon of D-α-amino acids and their use in methods of therapy, including the treatment of inflammatory diseases, and to compositions and enantiomeric mixtures containing them.

  本发明通常涉及氨基酸衍生物及其制备方法。特别地，本发明涉及具有立体化学同一性的化合物，即具有D-α-氨基酸的手性α-碳的同一立体化学，以及它们在治疗方法中的使用，包括治疗炎症性疾病，以及含有它们的组合物和对映体混合物。
• KETOAMIDE IMMUNOPROTEASOME INHIBITORS
  申请人：HOFFMANN-LA ROCHE INC.

  公开号：US20150274777A1

  公开（公告）日：2015-10-01

  The invention is concerned with the compounds of formula (I): and pharmaceutically acceptable salts thereof, wherein X, R 1 , R 1′ , R 2 , R 2′ , R 3 , R 4 , R 4′ and R 5 are defined in the detailed description and claims. In addition, the present invention relates to methods of manufacturing and using the compounds of formula (I) as well as pharmaceutical compositions containing such compounds. The compounds of formula (I) are LMP7 inhibitors and may be useful in treating associated inflammatory diseases and disorders such as, for example, rheumatoid arthritis, lupus and irritable bowel disease.

  本发明涉及式(I)的化合物及其药学上可接受的盐，其中X、R1、R1'、R2、R2'、R3、R4、R4'和R5在详细说明书和权利要求中有定义。此外，本发明还涉及制造和使用式(I)化合物的方法，以及含有这种化合物的药物组合物。式(I)化合物是LMP7抑制剂，可能有用于治疗相关的炎症性疾病和疾病，例如类风湿性关节炎、狼疮和肠易激综合症。
• Use of tachykinin antagonists in the treatment of emesis
  申请人：GLAXO GROUP LIMITED

  公开号：EP0615751A1

  公开（公告）日：1994-09-21

  The present invention relates to the use of certain tachykinin antagonists, including substance P antagonists and other neurokinin antagonists, in the treatment of emesis.

  本发明涉及某些速激肽拮抗剂（包括 P 物质拮抗剂和其他神经激肽拮抗剂）在治疗呃逆中的应用。