1-苄基-3-(乙氧羰基)-碳二亚胺 | 100313-34-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-苄基-3-(乙氧羰基)-碳二亚胺
• 中文别名: 氨甲酸,[(苯基甲基)碳亚胺酰基]-,乙基酯
• 英文名称: 1-benzyl-3-(ethoxycarbonyl)carbodiimide
• CAS: 100313-34-6
• 化学式: C₁₁H₁₂N₂O₂
• 分子量: 204.228
• InChiKey: UDZLKONTCCJQSG-UHFFFAOYSA-N

物化性质

• 沸点：
  283.1±33.0 °C(Predicted)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  51
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  阿卡地新 、 1-苄基-3-(乙氧羰基)-碳二亚胺 以 N,N-二甲基乙酰胺 为溶剂， 以64%的产率得到5-(3-benzyl-3'-(ethoxycarbonyl)-1-guanidino)-1-(β-D-ribofuranosyl)imidazole-4-carboxamide
  参考文献：
  名称：

  A new and efficient synthesis of guanosine

  摘要：

  DOI：

  10.1021/jo00358a021
• 作为产物：
  描述：

  N-(苄基氨基甲酰基)氨基甲酸乙酯 在 光气 、 三乙胺 作用下， 以 苯 为溶剂， 反应 1.0h， 以40%的产率得到1-苄基-3-(乙氧羰基)-碳二亚胺
  参考文献：
  名称：

  A new and efficient synthesis of guanosine

  摘要：

  DOI：

  10.1021/jo00358a021

文献信息

• [EN] BORON-CONTAINING DIACYLHYDRAZINE COMPOUNDS<br/>[FR] COMPOSÉS DIACYLHYDRAZINE CONTENANT DU BORE
  申请人：INTREXON CORP

  公开号：WO2016044390A1

  公开（公告）日：2016-03-24

  The present disclosure provides boron-containing diacylhydrazines having Formula (I): and the pharmaceutically acceptable salts and solvates thereof, wherein A, R4, and R5 are defined as set forth in the specification. The present disclosure also provides the use of boron-containing diacylhydrazines is ecdysone receptor-based inducible gene expression systems. Thus, the present disclosure is useful for applications such as gene therapy, treatment of disease, large scale production of proteins and antibodies, cell-based screening assays, functional genomics, proteomics, metabolomics, and regulation of traits in transgenic organisms, where control of gene expression levels is desirable.

  本公开提供具有式（I）的含硼二酰肼化合物及其药学上可接受的盐和溶剂化物，其中A、R4和R5如规范中所述。本公开还提供了含硼二酰肼化合物在蜕皮激素受体基础上的诱导基因表达系统的用途。因此，本公开适用于基因治疗、疾病治疗、大规模蛋白质和抗体生产、基于细胞的筛选分析、功能基因组学、蛋白质组学、代谢组学和调节转基因生物的特征等应用中，其中对基因表达水平的控制是可取的。
• Boron-Containing Diacylhydrazines
  申请人：Intrexon Corporation

  公开号：US20150322092A1

  公开（公告）日：2015-11-12

  The present disclosure provides boron-containing diacylhydrazines having Formula I: and the pharmaceutically acceptable salts and solvates thereof, wherein R 1 , R 2 , R 3 , R 4 , and R 5 are defined as set forth in the specification. The present disclosure also provides the use of boron-containing diacylhydrazines is ecdysone receptor-based inducible gene expression systems. Thus, the present disclosure is useful for applications such as gene therapy, treatment of disease, large scale production of proteins and antibodies, cell-based screening assays, functional genomics, proteomics, metabolomics, and regulation of traits in transgenic organisms, where control of gene expression levels is desirable.

  本公开提供具有I式的含硼二酰肼化合物及其药学上可接受的盐和溶剂化物，其中R1、R2、R3、R4和R5的定义如规范中所述。本公开还提供了使用含硼二酰肼化合物的ecdysone受体基础的诱导基因表达系统。因此，本公开适用于基因治疗、疾病治疗、大规模生产蛋白质和抗体、基于细胞的筛选测定、功能基因组学、蛋白质组学、代谢组学和调控转基因生物的特征等应用，其中需要控制基因表达水平。
• Boron-Containing Diacylhydrazine Compounds
  申请人：Intrexon Corporation

  公开号：US20160083403A1

  公开（公告）日：2016-03-24

  The present disclosure provides boron-containing diacylhydrazines having Formula I: and the pharmaceutically acceptable salts and solvates thereof, wherein A, R 4 , and R 5 are defined as set forth in the specification. The present disclosure also provides the use of boron-containing diacylhydrazines is ecdysone receptor-based inducible gene expression systems. Thus, the present disclosure is useful for applications such as gene therapy, treatment of disease, large scale production of proteins and antibodies, cell-based screening assays, functional genomics, proteomics, metabolomics, and regulation of traits in transgenic organisms, where control of gene expression levels is desirable.

  本公开提供具有化学式I的含硼二酰肼化合物及其药学上可接受的盐和溶剂化物，其中A、R4和R5的定义如规范中所述。本公开还提供了使用含硼二酰肼类化合物的蜕皮激素受体诱导基因表达系统。因此，本公开对于基因治疗、疾病治疗、大规模蛋白质和抗体的生产、基于细胞的筛选分析、功能基因组学、蛋白质组学、代谢组学以及调节转基因生物的特征等应用非常有用，其中对基因表达水平的控制是必要的。
• Boron Heterocycles Bearing a Peripheral Resemblance to Naturally-Occurring Purines: Design, Syntheses, Structures, and Properties
  作者：Michael P. Groziak、Anusree D. Ganguly、Paul D. Robinson

  DOI：10.1021/ja00096a017

  日期：1994.8

  To test the design and initiate the development of a new class of boron-containing purine nucleoside and aglycon analogs, the benzo-fused boron heterocycles 1-hydroxy-1H-2,4,1-benzoxazaborine (2), 1,2-dihydro-1-hydroxy-2,4, 1-benzodiazaborine (3), and 3-amino-1,2-dihydro-1-hydroxy-2,4,1-benzodiazaborine (4) were synthesized, and their structural properties and chemical reactivities were investigated. The heterocyclic peripheries of these targets possess heteroatom, hydrogen atom, and in-plane lone-pair electron loci specifically selected to match closely those of the pyrimidine ring portions of the naturally-occurring purines adenine, hypoxanthine, and guanine. According to H-1 and B-11 NMR spectral analyses, 2-4 are stable to facile hydrolysis, but not to facile hydration, which occurs in a 1,4-fashion to give zwitterionic adducts. In addition, these benzo-fused boron heterocycles form bis-methanol adducts simply upon warming in methanol solution. A single-crystal X-ray diffraction analysis of the bis-methanol adduct (14) derived from 3 confirmed it to be a zwitterion comprised of tetrahedral berate anion and formamidinium cation molecular fragments. From NMR-based solution structure determinations made of 2-4 and a series of substituted derivatives, the facile 1,4-hydration property appears to be endemic to the 2,4,1-oxaza- and diazaborine classes of boron heterocycles and is projected to imbue certain future imidazo[5,4-e]-fused members with the requisite aqueous solution structural features for ''transition-state'' analog inhibition of the enzyme adenosine deaminase (EC 3.5.4.4). This work underscores the attraction of employing boron-for-carbon replacement strategies in the design of new, potentially bioactive agents.
• US20140274954A1
  申请人：——

  公开号：US20140274954A1

  公开（公告）日：2014-09-18