2-isocyanato-hexanoic acid tert-butyl ester | 347163-14-8

• 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-isocyanato-hexanoic acid tert-butyl ester
• 英文别名: N-carbonyl-DL-norleucine tert-butyl ester；Tert-butyl 2-isocyanatohexanoate
• CAS: 347163-14-8
• 化学式: C₁₁H₁₉NO₃
• 分子量: 213.277
• InChiKey: VSJDRFPKMNUBJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  55.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-isocyanato-hexanoic acid tert-butyl ester 、 sydnophen 生成 5-[3-(1-carboxy-pentyl)-ureido]-3-(1-methyl-2-phenyl-ethyl)-[1,2,3]oxadiazolium betaine
  参考文献：
  名称：

  Synthesis of N(N6)-exocyclic amino acid derivatives of 3-phenylisopropylsydnoneimine

  摘要：

  DOI：

  10.1007/bf00469945
• 作为产物：
  描述：

  2-(Trimethylsilanyl-amino)-hexanoic acid tert-butyl ester 生成 2-isocyanato-hexanoic acid tert-butyl ester
  参考文献：
  名称：

  OLOVYANISHNIKOVA Z. A.; GALKIN O. M.; YASHUNSKIJ V. G.; DAVIDOVICH YU. A., XIMIYA GETEROTSIKL. SOEDIN., 1978, HO 10, 1335-1339

  摘要：

  DOI：

文献信息

• [EN] ALPHA HELIX MIMETICS AND METHODS RELATING THERETO<br/>[FR] MIMÉTIQUES D'HÉLICE ALPHA ET PROCÉDÉS S'Y RAPPORTANT
  申请人：PRISM BIOLAB CORP

  公开号：WO2012115286A1

  公开（公告）日：2012-08-30

  Alpha-helix mimetic structures and compounds represented by the formula (I) wherein the general formula and the definition of each symbol are as defined in the specification, a compound relating thereto, and methods relating thereto, are disclosed. Applications of these compounds in the treatment of medical conditions, e.g., cancer diseases, fibrotic diseases, and pharmaceutical compositions comprising the mimetics are further disclosed.

  α-螺旋拟态结构和由式(I)表示的化合物，其中一般式和每个符号的定义如规范中所定义，涉及的化合物以及涉及的方法被披露。还披露了这些化合物在治疗医疗状况（例如癌症疾病、纤维化疾病）中的应用，以及包含这些拟态体的药物组合物。
• Amatoxin-Armed Therapeutic Cell Surface Binding Components Designed for Tumour Therapy
  申请人：Faulstich Heinz

  公开号：US20120100161A1

  公开（公告）日：2012-04-26

  The invention relates to tumour therapy. In one aspect, the present invention relates to conjugates of a toxin and a target-binding moiety, e.g. an antibody, which are useful in the treatment of cancer. In particular, the toxin is an amatoxin, and the target-binding moiety is preferably directed against tumour-associated antigens. In particular, the amatoxin is conjugated to the antibody by linker moieties. In particular the linker moieties are covalently bound to functional groups located in positions of the amatoxin proved as preferred positions for the attachment of linkers with respect to optimum antitumor activity. In a further aspect the invention relates to pharmaceutical compositions comprising such target-binding moiety toxin conjugates and to the use of such target-binding moiety toxin conjugates for the preparation of such pharmaceutical compositions. The target-binding moiety toxin conjugates and pharmaceutical compositions of the invention are useful for the treatment of cancer.

  本发明涉及肿瘤治疗。在一个方面，本发明涉及毒素和靶向结合基团（例如抗体）的共轭物，其在癌症治疗中有用。特别地，毒素是一种阿马毒素，靶向结合基团首选针对肿瘤相关抗原。特别地，阿马毒素通过连接基团与抗体结合。特别地，连接基团是共价结合到阿马毒素中被证明是最佳抗肿瘤活性的位置上的功能基团。在另一个方面，本发明涉及包括这样的靶向结合基团毒素共轭物的制药组合物，并且涉及使用这样的靶向结合基团毒素共轭物制备这样的制药组合物。本发明的靶向结合基团毒素共轭物和制药组合物对于肿瘤治疗有用。
• ALPHA HELIX MIMETICS AND METHODS RELATING THERETO
  申请人：Kouji Hiroyuki

  公开号：US20140051706A1

  公开（公告）日：2014-02-20

  Alpha-helix mimetic structures and compounds represented by the formula (I) wherein the general formula and the definition of each symbol are as defined in the specification, a compound relating thereto, and methods relating thereto, are disclosed. Applications of these compounds in the treatment of medical conditions, e.g., cancer diseases, fibrotic diseases, and pharmaceutical compositions comprising the mimetics are further disclosed.

  本文揭示了一种以公式（I）表示的α-螺旋类似结构和化合物，其中一般公式和每个符号的定义如规范中所定义，以及与之相关的化合物和方法。本文还揭示了这些化合物在治疗医学疾病，例如癌症、纤维化疾病以及包含类似物的制药组合物的应用。
• AMATOXIN-ARMED THERAPEUTIC CELL SURFACE BINDING COMPONENTS DESIGNED FOR TUMOUR THERAPY
  申请人：Deutsches Krebsforschungszentrum

  公开号：US20160089450A1

  公开（公告）日：2016-03-31

  The invention relates to tumour therapy. In one aspect, the present invention relates to conjugates of a toxin and a target-binding moiety, e.g. an antibody, which are useful in the treatment of cancer. In particular, the toxin is an amatoxin, and the target-binding moiety is preferably directed against tumour-associated antigens. In particular, the amatoxin is conjugated to the antibody by linker moieties. In particular the linker moieties are covalently bound to functional groups located in positions of the amatoxin proved as preferred positions for the attachment of linkers with respect to optimum antitumor activity. In a further aspect the invention relates to pharmaceutical compositions comprising such target-binding moiety toxin conjugates and to the use of such target-binding moiety toxin conjugates for the preparation of such pharmaceutical compositions. The target-binding moiety toxin conjugates and pharmaceutical compositions of the invention are useful for the treatment of cancer.

  本发明涉及肿瘤治疗。在一个方面，本发明涉及毒素和靶向结合基团（例如抗体）的共轭物，其在癌症治疗中有用。特别是，毒素是一种阿马毒素，而靶向结合基团最好是针对肿瘤相关抗原的。特别是，阿马毒素通过连接基团与抗体结合。特别是，连接基团是共价结合到阿马毒素中的位置的功能基团上的，这些位置被证明是连接剂与最佳抗肿瘤活性相关的首选位置。在另一个方面，本发明涉及包含这种靶向结合基团毒素共轭物的制药组合物，并且涉及使用这种靶向结合基团毒素共轭物制备这种制药组合物。本发明的靶向结合基团毒素共轭物和制药组合物可用于癌症治疗。
• US9233173B2
  申请人：——

  公开号：US9233173B2

  公开（公告）日：2016-01-12