N-(2-Boc-aminoethyl)-N-(methyl)-glycine | 867064-19-5

• 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: N-(2-Boc-aminoethyl)-N-(methyl)-glycine
• 英文别名: {[2-(tert-butoxycarbonylamino)-ethyl]-methyl-amino}-acetic acid；2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid
• CAS: 867064-19-5
• 化学式: C₁₀H₂₀N₂O₄
• 分子量: 232.28
• InChiKey: VGGBICGIQJVBLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  78.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  CH0793076 、 N-(2-Boc-aminoethyl)-N-(methyl)-glycine 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以27%的产率得到(9S)-9-({[2-(tert-butoxycarbonylamino)-ethyl]-methyl-amino}-acetoxy)-9-ethyl-1-pentyl-1H,12H-pyrano[3'',4'':6',7']indolizino[1',2':6,5]pyrido[4,3,2-de]quinazoline-10,13(9H,15H)-dione
  参考文献：
  名称：

  AGENT FOR PREVENTING OR TREATING PANCREAS CANCER, OVARY CANCER OR LIVER CANCER CONTAINING NOVEL WATER-SOLUBLE PRODRUG

  摘要：

  预防或治疗胰腺癌、卵巢癌或肝癌的本发明药剂包括下述式子所代表的水溶性前药，或者前药的药用可接受盐，或者前药或药用可接受盐的水合物或溶剂化合物， （其中， R1代表氢原子，或者C1-C6烷基； W代表包含三级胺基团或含磺酰基团的二价基团，以及 Y代表由Y-OH所代表的化合物残基，包括含有醇羟基的醇羟基化合物残基，其中所述的Y-OH是一种喜树碱、紫杉醇或抗癌核苷酸）。

  公开号：

  EP1938823A1
• 作为产物：
  描述：

  N-Boc-溴乙胺 在 5%-palladium/activated carbon 氢气 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 73.0h， 生成 N-(2-Boc-aminoethyl)-N-(methyl)-glycine
  参考文献：
  名称：

  AGENT FOR PREVENTING OR TREATING PANCREAS CANCER, OVARY CANCER OR LIVER CANCER CONTAINING NOVEL WATER-SOLUBLE PRODRUG

  摘要：

  预防或治疗胰腺癌、卵巢癌或肝癌的本发明药剂包括下述式子所代表的水溶性前药，或者前药的药用可接受盐，或者前药或药用可接受盐的水合物或溶剂化合物， （其中， R1代表氢原子，或者C1-C6烷基； W代表包含三级胺基团或含磺酰基团的二价基团，以及 Y代表由Y-OH所代表的化合物残基，包括含有醇羟基的醇羟基化合物残基，其中所述的Y-OH是一种喜树碱、紫杉醇或抗癌核苷酸）。

  公开号：

  EP1938823A1

文献信息

• NOVEL ANTICANCER CONCOMITANT DRUG
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP1925309A1

  公开（公告）日：2008-05-28

  A cancer therapeutic agent according to the present invention comprises a combination of compound A described below, or a pharmaceutically acceptable salt thereof, and compound B described below, or a pharmaceutically acceptable salt thereof: Compound A: compound A1 represented by formula (1) below, or water-soluble prodrug A2 thereof; Compound B: at least one type of compound selected from the group consisting of a platinum-type anticancer compound, a gemcitabine-type compound, a 5-FU-type compound, a taxane-type compound, a vinca alkaloid-type compound, an anticancer tyrosine kinase inhibitor compound, and an anticancer monoclonal antibody; (wherein, R11 represents a hydrogen atom, a halogen atom or a C1-C6 alkyl group; R12 represents a hydrogen atom, a halogen atom, a C1-C6 alkyl group, or a hydroxyl group; R21 represents a hydrogen atom or a C1-C10 alkyl group which may comprise one to three substituents selected from Group B described below: Group B: a C1-C6 alkoxy group, a hydroxy group, a halogen atom, an amino group, a mono-C1-C6 alkylamino group, a di-C1-C6 alkylamino group, a C3-C7 cycloalkyl group, a heterocycle, and an aryl ring (the aryl ring may comprise one to three substituents selected from the group consisting of a hydroxy group, a C1-C6 alkoxy group, a halogen atom, an amino group, a mono-C1-C6 alkylamino group, and a di-C1-C6 alkylamino group); and R22 represents a hydrogen atom, an amino group, or a C1-C6 alkyl group that may comprise one to three substituents selected from Group C described below, a C1-C6 alkoxy group that may comprise one to three substituents selected from Group C described below, a C1-C6 alkylthio group that may comprise one to three substituents selected from Group C described below, a mono-C1-C6 alkylamino group that may comprise one to three substituents selected from Group C described below, or a di-C1-C6 alkylamino group that may comprise one to three substituents selected from Group C described below: Group C: a C1-C6 alkoxy group, a hydroxy group, a halogen atom, an amino group, a C3-C7 cycloalkyl group, a heterocycle, and an aryl ring (the aryl ring may comprise one to three substituents selected from the group consisting of a hydroxy group, a C1-C6 alkoxy group, an amino group, a mono-C1-C6 alkylamino group, and a di-C1-C6 alkylamino group).

  根据本发明，一种癌症治疗剂包括以下所述的化合物A的组合物，或其药用可接受的盐，以及以下所述的化合物B的组合物，或其药用可接受的盐：化合物A：以下式（1）表示的化合物A1，或其水溶性前药A2；化合物B：选自铂类抗癌化合物、吉西他滨类化合物、5-氟尿嘧啶类化合物、紫杉醇类化合物、长春碱类化合物、抗癌酪氨酸激酶抑制剂化合物和抗癌单克隆抗体的化合物中的至少一种化合物；（其中，R11代表氢原子、卤原子或C1-C6烷基；R12代表氢原子、卤原子、C1-C6烷基或羟基；R21代表氢原子或C1-C10烷基，可能包括来自下文所述的B组的1至3个取代基：B组：C1-C6烷氧基、羟基、卤原子、氨基、单烷基氨基、双烷基氨基、C3-C7环烷基、杂环和芳基（芳基可能包括来自羟基、C1-C6烷氧基、卤原子、氨基、单烷基氨基和双烷基氨基的1至3个取代基）；R22代表氢原子、氨基或可能包括来自下文所述的C组的1至3个取代基的C1-C6烷基、可能包括来自下文所述的C组的1至3个取代基的C1-C6烷氧基、可能包括来自下文所述的C组的1至3个取代基的C1-C6烷硫基、可能包括来自下文所述的C组的1至3个取代基的单烷基氨基，或可能包括来自下文所述的C组的1至3个取代基的双烷基氨基：C组：C1-C6烷氧基、羟基、卤原子、氨基、C3-C7环烷基、杂环和芳基（芳基可能包括来自羟基、C1-C6烷氧基、氨基、单烷基氨基和双烷基氨基的1至3个取代基）。
• Novel Water-Soluble Prodrugs
  申请人：Umeda Isao

  公开号：US20080015157A1

  公开（公告）日：2008-01-17

  An objective of the present invention is to provide water-soluble prodrugs that can be administered parenterally, and which show excellent water solubility and small interspecies or individual differences and are rapidly converted to the active form by chemical conversion. This invention provides water-soluble prodrugs represented by formula (1), or pharmaceutically acceptable salts, or hydrates or solvates thereof, (wherein, R 1 represents a hydrogen atom, or C1-C6 alkyl group; W represents a divalent group comprising a tertiary amino group or sulfonyl group; and Y represents a residue of a compound represented by Y—OH comprising an alcoholic hydroxyl group).

  本发明的目的是提供可经由肌肉注射给药的水溶性前药，其具有优异的水溶性、小的种间或个体差异，并且可通过化学转化迅速转化为活性形式。本发明提供了由式(1)表示的水溶性前药，或其药学上可接受的盐、水合物或溶剂化物，其中R1代表氢原子或C1-C6烷基；W代表包含三级胺基或磺酰基的二价基团；Y代表由Y-OH表示的化合物的残基，该化合物包括醇羟基。
• Novel Functional Peptide Nucleic Acid Monomer and Process for Producing the Same
  申请人：Ikeda Hisafumi

  公开号：US20080138817A1

  公开（公告）日：2008-06-12

  A compound represented by general formula (I) below; (in the formula, A denotes B denotes R denotes H, NO 2 , NH 2 , NHCbz, Br, F, Cl or SO 3 Na 2 , and n is an integer of 1 to 4 ), and a process for producing the above compound characterised in that it includes a reaction between an activated ester and a t-butoxycarbonylaminoethylamine or an ω-amino acid derivative.

  以下是一种由通式（I）表示的化合物；（在公式中，A代表B代表R代表H，NO2，NH2，NHCbz，Br，F，Cl或SO3Na2，n是1到4的整数），以及一种生产上述化合物的过程，其特征在于它包括激活酯和t-丁氧羰基氨乙胺或ω-氨基酸衍生物之间的反应。
• Preventive or Therapeutic Agents for Pancreatic Cancer, Ovarian Cancer, or Liver Cancer Comprising a Novel Water-Soluble Prodrug
  申请人：Umeda Isao

  公开号：US20090118271A1

  公开（公告）日：2009-05-07

  Preventive or therapeutic agents for pancreatic cancer, ovarian cancer, or liver cancer of the present invention comprise a water-soluble prodrug represented by formula 1 described below, or a pharmaceutically acceptable salt, or a hydrate or solvate of the prodrug or pharmaceutically acceptable salt, (wherein, R 1 represents a hydrogen atom, or a C1-C6 alkyl group; W represents a divalent group comprising a tertiary amino group or a divalent group comprising a sulfonyl group, and Y represents a residue of a compound represented by Y—OH comprising an alcoholic hydroxyl group, wherein said Y—OH is a camptothecin, a taxane, or an anticancer nucleotide).

  本发明的胰腺癌、卵巢癌或肝癌的预防或治疗剂包括以下式子1所描述的水溶性前药，或其药学上可接受的盐、水合物或溶剂化物（其中，R1代表氢原子或C1-C6烷基；W代表含有三级胺基的二价基团或含有磺酰基的二价基团，而Y代表一个化合物残基，该化合物残基由含有醇羟基的Y—OH所表示，其中所述的Y—OH是一种喜树碱、紫杉醇或抗癌核苷酸）。
• NUCLEIC ACID BASE PAIRS
  申请人：Lohse Jesper

  公开号：US20100105030A1

  公开（公告）日：2010-04-29

  The invention relates to non-natural bases and base pairs that expand the normal DNA-based encoding system. Compositions herein may comprise at least one non-natural base that may interact with another base via a Watson Crick-type hydrogen bonding geometry and/or a Hoogsteen-type hydrogen bonding geometry. The bases may be used in a molecular entity, such as an oligomer or any other entity wherein the bases are attached to a backbone. For example, they may be comprised in DNA, RNA, or PNA, or a variety of other nucleic acid-type systems.

  本发明涉及扩展正常基于DNA编码系统的非自然碱基和碱基对。本文中的组合物可能包含至少一种非自然碱基，该碱基可以通过Watson Crick型氢键几何和/或Hoogsteen型氢键几何与另一碱基相互作用。这些碱基可以用于分子实体，例如寡聚物或任何其他碱基附着于骨架的实体。例如，它们可以包含在DNA、RNA或PNA中，或者各种其他核酸类型系统中。