2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-2-ethylbutanoic acid | 204514-21-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-2-ethylbutanoic acid
• 英文别名: 2-((Boc-amino)methyl)-2-ethylbutanoic acid；2-({[(Tert-butoxy)carbonyl]amino}methyl)-2-ethylbutanoic acid；2-ethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
• CAS: 204514-21-6
• 化学式: C₁₂H₂₃NO₄
• mdl: MFCD22566037
• 分子量: 245.319
• InChiKey: MAGZMMZGWAGCSJ-UHFFFAOYSA-N

物化性质

• 沸点：
  374.3±25.0 °C(Predicted)
• 密度：
  1.050±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-2-ethylbutanoic acid 在 四丁基硫酸氢铵 、 碳酸氢钠 作用下， 以 二氯甲烷 、 水 、 乙腈 为溶剂， 生成 3-[[2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-2-ethyl-1-oxobutoxy]methyl]-2-methyl-1-[(2,3,4,9-tetrahydro-9-methyl-4-oxo-1H-carbazol-3-yl)methyl]-1H-imidazolium chloride
  参考文献：
  名称：

  TERTIARY AMINE COMPOUND OR IMINE COMPOUND-POLYMER CONJUGATE AND PRODUCTION METHOD THEREFOR

  摘要：

  提供的是一种化合物，通过将一种三级胺化合物或亚胺化合物与聚合物共轭，用作药物，其中具有由三级胺化合物或亚胺化合物D形成的季铵盐或亚胺盐的结构D + 和具有羧基的聚合物残基Poly通过结构—C(R 1 )(R 2 )OC(O)ANHC(═O)—相互键合。

  公开号：

  US20200138964A1
• 作为产物：
  描述：

  3-Amino-2.2-diaethyl-propionsaeure-aethylester 在 sodium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 生成 2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-2-ethylbutanoic acid
  参考文献：
  名称：

  结合非手性Asp-Pro模拟物的有效环肽VCAM-VLA-4拮抗剂的设计和合成。

  摘要：

  环状肽Ac-HN-Tyr-Cys * -Asp-Pro-Cys * -OH（1）的Asp-Pro序列可被非手性二肽模拟1-（2-氨基乙基）环戊基羧酸取代抑制VCAM-VLA-4相互作用。

  DOI：

  10.1016/s0960-894x(00)00174-8

文献信息

• Synthesis and biological evaluation of cryptophycin analogs with substitution at C-6 (fragment C region)
  作者：David L. Varie、Chuan Shih、David A. Hay、Sherri L. Andis、Tom H. Corbett、Lynn S. Gossett、Samantha K. Janisse、Michael J. Martinelli、Eric D. Moher、Richard M. Schultz、John E. Toth

  DOI：10.1016/s0960-894x(98)00748-3

  日期：1999.2

  Analogs of the antitumor agents cryptophycins 1 and 8 with dialkyl substitution at C-6 (fragment C) were synthesized and evaluated for in vitro cytotoxicity against human leukemia cells (CCRF-CEM). The activity of these analogs decreased as the size of the substituents at C-6 increased. The C-6 spirocylopropyl compound (2g) was highly potent in vitro and showed excellent antitumor activity in animal models. (C) 1999 Elsevier Science Ltd. ALI rights reserved.
• Synthesis, binding, nuclease resistance and cellular uptake properties of 2′- O -acetalester-modified oligonucleotides containing cationic groups
  作者：Annabelle Biscans、Sonia Rouanet、Jean-Rémi Bertrand、Jean-Jacques Vasseur、Christelle Dupouy、Françoise Debart

  DOI：10.1016/j.bmc.2015.07.054

  日期：2015.9

  We report on the synthesis and properties of oligonucleotides (ONs) with 2'-O-acetalester modifications containing cationic side chains in a prodrug-like approach. In the aim to improve cell penetration and nuclease resistance, various different amino-or guanidino-acetalester were grafted to 2'-OH of uridine and the corresponding phosphoramidites were incorporated into ONs. Introduction of 2'-O-(2-aminomethyl-2-ethyl)butyryloxymethyl (AMEBuOM) modification into 2'-OMe ONs leads to high resistance towards enzymatic degradation and to destabilization of duplexes with complementary RNA strand. Spontaneous uptake experiments of a twelve-mer containing ten 2'-O-AMEBuOM-U units into A673 cells showed moderate internalization of ON within the cells whereas substantial internalization of the corresponding lipophilic 2'-O-pivaloyloxymethyl ON was observed for the first time. (C) 2015 Elsevier Ltd. All rights reserved.
• BIOACTIVE CARBOXYLIC ACID TYPE COMPOUND-POLYMER CONJUGATE, AND METHOD FOR MANUFACTURING THE SAME
  申请人：Seikagaku Corporation

  公开号：US20210015933A1

  公开（公告）日：2021-01-21

  Provided are a novel conjugate of a bioactive carboxylic acid type compound with a polymer having a carboxy group, represented by Formula (I) as defined in the specification, capable of finely controlling a sustained release rate, and capable of sustainably releasing even a drug in which the vicinity of a carbonyl group of the bioactive carboxylic acid type compound is sterically crowded, and a method for manufacturing the same.
• [EN] (CARBOXYLIC ACID-TYPE COMPOUND)-POLYMER CONJUGATE HAVING BIOLOGICAL ACTIVITY, AND METHOD FOR PRODUCING SAME<br/>[FR] CONJUGUÉ FORMÉ D'UN COMPOSÉ DE TYPE ACIDE CARBOXYLIQUE ET D'UN POLYMÈRE AYANT UNE ACTIVITÉ BIOLOGIQUE ET SON PROCÉDÉ DE FABRICATION<br/>[JA] 生物活性を有するカルボン酸型化合物－ポリマーコンジュゲート及びその製造方法
  申请人：SEIKAGAKU KOGYO CO LTD

  公开号：WO2019189876A1

  公开（公告）日：2019-10-03

  明細書に定義される式（I）で示される化合物であって、徐放速度を細かくコントロールすることが出来、且つ生物活性を有するカルボン酸型化合物のカルボニル基近傍が立体的に混み合っている薬剤をも徐放させることが出来る、生物活性を有するカルボン酸型化合物とカルボキシ基を有するポリマーとの新規なコンジュゲートの提供及びその製造方法を提供する。
• TERTIARY AMINE COMPOUND OR IMINE COMPOUND-POLYMER CONJUGATE AND PRODUCTION METHOD THEREFOR
  申请人：Seikagaku Corporation

  公开号：US20200138964A1

  公开（公告）日：2020-05-07

  Provided is a compound obtained by conjugating a tertiary amine compound or imine compound, which is useful as a drug, with a polymer, in which a structure D + having a quaternary ammonium salt or iminium salt formed from a tertiary amine compound or imine compound D and a polymer residue Poly having a carboxy group are bonded to each other via a structure —C(R 1 )(R 2 )OC(O)ANHC(═O)—.

  提供的是一种化合物，通过将一种三级胺化合物或亚胺化合物与聚合物共轭，用作药物，其中具有由三级胺化合物或亚胺化合物D形成的季铵盐或亚胺盐的结构D + 和具有羧基的聚合物残基Poly通过结构—C(R 1 )(R 2 )OC(O)ANHC(═O)—相互键合。