tert-butyl (1R,2R)-2-(benzyloxycarbonylamino)cyclopentylcarbamate | 815645-30-8

• 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: tert-butyl (1R,2R)-2-(benzyloxycarbonylamino)cyclopentylcarbamate
• 英文别名: benzyl tert-butyl (1R,2R)-cyclopentane-1,2-diyldicarbamate；benzyl N-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]carbamate
• CAS: 815645-30-8
• 化学式: C₁₈H₂₆N₂O₄
• 分子量: 334.415
• InChiKey: XYUZHEFWMXGVGF-HUUCEWRRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl (1R,2R)-2-(benzyloxycarbonylamino)cyclopentylcarbamate 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 12.0h， 生成 (1R,2R)-反式-N-Boc-1,2-环戊烷二胺
  参考文献：
  名称：

  (S,S)-trans-Cyclopentane-Constrained Peptide Nucleic Acids. A General Backbone Modification that Improves Binding Affinity and Sequence Specificity

  摘要：

  Replacing the ethylenediamine portion of aminoethylglycine peptide nucleic acids (aegPNAs) with one or more (S,S)-trans-cyclopentane diamine units significantly increases binding affinity and sequence specificity to complementary DNA, making these modified PNAs ideal for use as nucleic acid probes in genomic analysis. The synthesis and study of this new class of PNAs (tcypPNAs) is described in which trans-cyclopentane diamine has been incorporated into several positions, and in varying number, within PNA backbones of mixed-base sequences.

  DOI：

  10.1021/ja046280q
• 作为产物：
  描述：

  在 copper(l) chloride 作用下， 以 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 1.25h， 生成 tert-butyl (1R,2R)-2-(benzyloxycarbonylamino)cyclopentylcarbamate
  参考文献：
  名称：

  (S,S)-trans-Cyclopentane-Constrained Peptide Nucleic Acids. A General Backbone Modification that Improves Binding Affinity and Sequence Specificity

  摘要：

  Replacing the ethylenediamine portion of aminoethylglycine peptide nucleic acids (aegPNAs) with one or more (S,S)-trans-cyclopentane diamine units significantly increases binding affinity and sequence specificity to complementary DNA, making these modified PNAs ideal for use as nucleic acid probes in genomic analysis. The synthesis and study of this new class of PNAs (tcypPNAs) is described in which trans-cyclopentane diamine has been incorporated into several positions, and in varying number, within PNA backbones of mixed-base sequences.

  DOI：

  10.1021/ja046280q

文献信息

• PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH
  申请人：Bhattacharya Kumar Samit

  公开号：US20080234303A1

  公开（公告）日：2008-09-25

  The present invention relates to a compound of the formula 1 or a pharmaceutically acceptable salt thereof, wherein Ar is a group of formula and R 1 , R 2 , R 13 , A, K, M, L 1 , L 2 , X, Y 1 , Y 2 , Q, salt thereof, wherein R 1 , R 2 , R 13 , A, K, L 1 , L 2 , W, X, Z 1 , Z 2 , Y 1 , Y 2 , Z 1 , Z 2 , M, Q, W, X, m, p and q are as defined herein. Such novel pyrimidine derivatives are useful in the treatment of abnormal cell growth, such as cancer, in mammals. The invention also relates to a method of using such compounds in the treatment of abnormal cell growth in mammals, especially humans, and to pharmaceutical compositions containing such compounds.

  本发明涉及式1的化合物或其药学上可接受的盐，其中Ar是式的基团，而R1、R2、R13、A、K、M、L1、L2、X、Y1、Y2、Q、其盐、R1、R2、R13、A、K、L1、L2、W、X、Z1、Z2、Y1、Y2、Z1、Z2、M、Q、W、X、m、p和q的定义如本文所述。这些新型嘧啶衍生物在哺乳动物中治疗异常细胞增长，如癌症方面具有用途。本发明还涉及使用这些化合物在哺乳动物，特别是人类中治疗异常细胞增长的方法，以及含有这些化合物的制药组合物。
• US7820648B2
  申请人：——

  公开号：US7820648B2

  公开（公告）日：2010-10-26
• [EN] PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH<br/>[FR] DÉRIVÉS PYRIMIDIQUES DESTINÉS À TRAITER UNE CROISSANCE CELLULAIRE ANORMALE
  申请人：PFIZER PROD INC

  公开号：WO2007072158A2

  公开（公告）日：2007-06-28

  (EN) The present invention relates to a compound of the Formula (I) or a pharmaceutically acceptable salt thereof, wherein Ar is a group of Formula (II) and salts thereof. Such pyrimidine derivatives are useful in the treatment of abnormal cell growth, such as cancer, in mammals. This invention also relates to a method of using such compounds in the treatment of abnormal cell growth in mammals, especially humans, and to pharmaceutical compositions containing such compounds.(FR) La présente invention concerne un composé de formule (I) ou un sel pharmaceutiquement acceptable de ce dernier, formule dans laquelle Ar est un groupe de formule (III), et R1, R2, R13, A, K, M, L1, L2, X, Y1, Y2, Q, le sel dudit composé, R1, R2, R13, A, K, L1, L2, W, X, Z1, Z2, Y1, Y2, Z1, Z2, M, Q, W, X, m, p et q étant tels que définis. Ces nouveaux dérivés pyrimidiques sont utiles dans le traitement d'une croissance cellulaire anormale, telle que le cancer, chez des mammifères. Cette invention concerne également un procédé d'utilisation de ces composés dans le traitement d'une croissance cellulaire anormale chez des mammifères, en particulier des êtres humains, ainsi que des compositions pharmaceutiques contenant lesdits composés.
• (<i>S</i>,<i>S</i>)-<i>trans-</i>Cyclopentane-Constrained Peptide Nucleic Acids. A General Backbone Modification that Improves Binding Affinity and Sequence Specificity
  作者：Jonathan K. Pokorski、Mark A. Witschi、Bethany L. Purnell、Daniel H. Appella

  DOI：10.1021/ja046280q

  日期：2004.11.1

  Replacing the ethylenediamine portion of aminoethylglycine peptide nucleic acids (aegPNAs) with one or more (S,S)-trans-cyclopentane diamine units significantly increases binding affinity and sequence specificity to complementary DNA, making these modified PNAs ideal for use as nucleic acid probes in genomic analysis. The synthesis and study of this new class of PNAs (tcypPNAs) is described in which trans-cyclopentane diamine has been incorporated into several positions, and in varying number, within PNA backbones of mixed-base sequences.