(RS)-4-oxo-3-{[(phenylmethoxy)carbonyl]amino}butanoic acid 1,1-dimethylethyl ester | 420135-49-5

• 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: (RS)-4-oxo-3-{[(phenylmethoxy)carbonyl]amino}butanoic acid 1,1-dimethylethyl ester
• 英文别名: 3-Benzyloxycarbonylamino-4-oxo-butyric acid tert-butyl ester；Tert-butyl 4-oxo-3-(phenylmethoxycarbonylamino)butanoate
• CAS: 420135-49-5
• 化学式: C₁₆H₂₁NO₅
• 分子量: 307.346
• InChiKey: VKSJIBIXAIORLS-UHFFFAOYSA-N

物化性质

• 沸点：
  456.1±45.0 °C(Predicted)
• 密度：
  1.147±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  81.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (RS)-4-oxo-3-{[(phenylmethoxy)carbonyl]amino}butanoic acid 1,1-dimethylethyl ester 在 碳酸氢钠 作用下， 以 乙醇 、 二氯甲烷 、 苯甲醚 、 三氟乙酸 为溶剂， 生成 (2-Ethoxy-5-oxo-tetrahydro-furan-3-yl)-carbamic acid benzyl ester
  参考文献：
  名称：

  C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases

  摘要：

  这项发明涉及新型的oxamyl二肽ICE/ced-3家族抑制剂化合物。该发明还涉及含有这些化合物的药物组合物，以及在治疗患有炎症性、自身免疫和神经退行性疾病的患者中使用这些组合物，用于预防缺血性损伤，并用于保存即将进行移植手术的器官。

  公开号：

  US20020042376A1
• 作为产物：
  描述：

  Cbz-aspartic acid (tert-butyl ester) 在 N-甲基吗啉 、 sodium tetrahydroborate 、 草酰氯 、 二甲基亚砜 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 1.41h， 生成 (RS)-4-oxo-3-{[(phenylmethoxy)carbonyl]amino}butanoic acid 1,1-dimethylethyl ester
  参考文献：
  名称：

  Diastereoselective synthesis of cyclic β2,3-amino acids utilizing 4-substituted-1,3-oxazinan-6-ones

  摘要：

  The 4-substituted-1,3-oxazinan-6-one scaffold is a versatile synthon enabling access to a diverse array of beta-amino acid derivatives. In this study, the synthetic utility of the 1,3-oxazinan-6-one is expanded to include the diastereoselective synthesis of cyclic beta(2,3)-amino acids. Enolate chemistry is used to first alkylate the 4-vinyl, 4-allyl, and 4-butenyl oxazinan-6-ones with various alkenyl electrophiles, in high dr. The resulting 4,5-bis-alkene adducts are then transformed into 4,5-cyclic-1,3-oxazinan-6-ones utilizing the ring closing metathesis reaction. The metathesis products are subsequently converted into a variety of five-, six-, and seven-membered cyclic beta(2,3)-amino acids. The research further highlights the 1,3-oxazinan-6-one as a versatile synthon for producing beta-amino acid derivatives. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.05.016

文献信息

• Linear Natriuretic Peptide Constructs
  申请人：Sharma Shubh D.

  公开号：US20070232546A1

  公开（公告）日：2007-10-04

  Linear constructs with an N-terminus and a C-terminus which bind to a natriuretic peptide receptor and include a plurality of amino acid residues and at least one amino acid surrogate of formula I: where R, R′, Q, Y, W, Z, J, x and n are as defined in the specification, and optionally at least one prosthetic group covalently bound to a reactive group of at least one of the amino acid residues or surrogates, pharmaceutical compositions including such linear constructs, and methods of treating congestive heart failure or other conditions, syndromes or diseases for which induction of anti-hypertensive, cardiovascular, renal or endocrine effects are desired.

  具有N-末端和C-末端的线性结构，可以结合到一种利钠肽受体上，并包括多个氨基酸残基和至少一种符合式I的氨基酸替代物：其中R、R'、Q、Y、W、Z、J、x和n如规范中所定义，并且可选地至少一种假体基团共价结合到至少一个氨基酸残基或替代物的反应性基团上，包括这种线性结构的药物组合物，以及治疗充血性心力衰竭或其他需要诱导抗高血压、心血管、肾脏或内分泌效应的情况、综合症或疾病的方法。
• Arylsulfonamide ethers, and methods of use thereof
  申请人：——

  公开号：US20030096826A1

  公开（公告）日：2003-05-22

  Novel arylsulfonamide ether compounds and pharmaceutical compositions thereof are described. The use of the novel arylsulfonamide ether compounds and pharmaceutical compositions thereof as inhibitors of interleukin-1&bgr; converting enzyme and other cysteine proteases in the ICE family is also decribed. In addition, methods of treating stroke, inflammatory diseases, septic shock, repurfusion injury, Alzheimer's disease, and shigellosis using a compound of the invention or a pharmaceutical composition thereof are described.

  描述了新型芳基磺酰胺醚化合物及其药物组合物。还描述了将这些新型芳基磺酰胺醚化合物和药物组合物用作干扰素γ转化酶和其他ICE家族半胱氨酸蛋白酶的抑制剂的用途。此外，还描述了使用本发明的化合物或其药物组合物治疗中风、炎症性疾病、脓毒性休克、再灌注损伤、阿尔茨海默病和志贺氏菌病的方法。
• C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases
  申请人：Karanewsky S. Donald

  公开号：US20050020504A1

  公开（公告）日：2005-01-27

  This invention is directed to novel oxamyl dipeptide ICE/ced-3 family inhibitor compounds. The invention is also directed to pharmaceutical compositions containing these compounds, as well as to the use of such compositions in the treatment of patients suffering inflammatory, autoimmune and neurodegenerative diseases, for the prevention of ischemic injury, and for the preservation of organs that are to undergo a transplantation procedure.

  该发明涉及新型的oxamyl二肽ICE/ced-3家族抑制剂化合物。该发明还涉及包含这些化合物的制药组合物，以及将这些组合物用于治疗患有炎症、自身免疫和神经退行性疾病的患者，用于预防缺血性损伤，并用于保存即将进行移植手术的器官。
• FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS
  申请人：Ahmed Gulzar

  公开号：US20090221555A1

  公开（公告）日：2009-09-03

  The present invention provides a compound of formula I or II or a pharmaceutically acceptable salt form thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , A 1 , A 2 , A 3 , A 4 , and A 5 , are as defined herein. The compounds of formula I or II have ALK and/or c-Met inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供公式I或II化合物或其药学上可接受的盐形式，其中R1、R2、R3、R4、R5、A1、A2、A3、A4和A5如本文所定义。公式I或II化合物具有ALK和/或c-Met抑制活性，可用于治疗增殖性疾病。
• Amino Acid Surrogates for Peptidic Constructs
  申请人：Sharma D. Shubh

  公开号：US20070260040A1

  公开（公告）日：2007-11-08

  Ring-constrained amino acid surrogates of formula I: where R 1 , R 2 , R 3 , R 4 , R 5 , R 6a , R 6b , R 7 , and y are as defined in the specification, methods for synthesizing ring-constrained amino acid surrogates of formula I, methods of use of ring-constrained amino acid surrogates of formula I, including use in linear or cyclic compounds which include a plurality of amino acid residues and one or more ring-constrained amino acid surrogates of formula I and linear or cyclic compounds which include a plurality of amino acid residues and one or more ring-constrained amino acid surrogates of formula I.

  公式I中的环约束氨基酸代用物，其化学式为：其中R1、R2、R3、R4、R5、R6a、R6b、R7和y的定义如规范中所述。本发明还涉及一种合成公式I中的环约束氨基酸代用物的方法，以及使用公式I中的环约束氨基酸代用物的方法，包括在包括多个氨基酸残基和一个或多个公式I中的环约束氨基酸代用物的线性或环状化合物中使用，以及在包括多个氨基酸残基和一个或多个公式I中的环约束氨基酸代用物的线性或环状化合物中使用。