methyl 2-[(tert-butoxycarbonyl)amino]-2-methyl-3-oxopropanoate | 191111-08-7

• 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: methyl 2-[(tert-butoxycarbonyl)amino]-2-methyl-3-oxopropanoate
• 英文别名: methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate
• CAS: 191111-08-7
• 化学式: C₁₀H₁₇NO₅
• 分子量: 231.249
• InChiKey: OECMESKZVFMXEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 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：

  methyl 2-[(tert-butoxycarbonyl)amino]-2-methyl-3-oxopropanoate 在 盐酸 、 sodium tetrahydroborate 、 对甲苯磺酸 作用下， 以 1,4-二氧六环 、 甲醇 、 甲苯 为溶剂， 生成 2-Amino-3-(4-fluoro-benzylamino)-2-methyl-propionic acid methyl ester
  参考文献：
  名称：

  A bioisosteric approach to the discovery of indole carbinol androgen receptor ligands

  摘要：

  Two potential bioisosteres of the nonsteroidal antiandrogen bicalutamide, an imidazolidinone and an indole, were synthesized and tested for their androgen receptor binding. Indole was discovered to be a suitable bioisostere for the acyl anilide moiety in the parent compound. Several analogs in the indole series were found to be 10-fold better than bicalutamide in binding to the recombinant androgen receptor binding domain. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.036
• 作为产物：
  描述：

  methyl 2-((tert-butoxycarbonyl)amino)-3-hydroxy-2-methylpropanoate 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以87%的产率得到methyl 2-[(tert-butoxycarbonyl)amino]-2-methyl-3-oxopropanoate
  参考文献：
  名称：

  氨基酸神经递质谷氨酸的稳定的含环丙烯的类似物

  摘要：

  作为神经递质，氨基酸谷氨酸一直是产生具有独特性质的结构类似物的努力的主题。在这里，我们报告了两种含环丙烯的谷氨酸类似物的实用，半克合成方法。这些类似物在溶液中，在存在亲核试剂谷胱甘肽的情况下，浓缩后以及在长期保存过程中都是稳定的，同时保持了它们对光或酶固定的适应性以及与诸如s-四嗪或光-生物正交反应伙伴的反应性。活化的四唑。

  DOI：

  10.1016/j.tetlet.2019.04.046

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。
• 2-amino-2-alkyl-3 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors
  申请人：——

  公开号：US20020072631A1

  公开（公告）日：2002-06-13

  The present invention relates to 2-amino-2-alkyl-3 hexenoic and hexynoic acid derivatives and their use in therapy, in particular their use as nitric oxide synthase inhibitors.

  本发明涉及2-氨基-2-烷基-3-己烯酸和己炔酸衍生物及其在治疗中的应用，特别是它们作为一氧化氮合酶抑制剂的应用。
• 2-amino-2-alkyl-3 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors
  申请人：——

  公开号：US20020072630A1

  公开（公告）日：2002-06-13

  The present invention relates to 2-amino-2-alkyl-3 heptenoic and heptynoic ac derivatives and their use in therapy, in particular their use as nitric oxide synthase inhibitors

  本发明涉及2-氨基-2-烷基-3庚烯酸和庚炔酸衍生物及其在治疗中的应用，特别是它们作为一氧化氮合酶抑制剂的应用。
• Novel imidazolidin-2-one derivatives as selective androgen receptor modulators (SARMS)
  申请人：Lanter C. James

  公开号：US20060063819A1

  公开（公告）日：2006-03-23

  The present invention is directed to novel imidazolidin-2-one derivatives having a structure according to Formula I wherein a, b, R 1 , R 2 , R 3 , and R 4 are as defined above, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions modulated by the androgen receptor.

  本发明涉及具有公式I结构的新型咪唑啉-2-酮衍生物，其中a、b、R1、R2、R3和R4的定义如上所述，以及包含它们的制药组合物和它们在治疗通过雄激素受体调节的疾病和症状中的应用。
• Novel imidazolidIn-2-one derivatives as selective androgen receptor modulators (SARMS)
  申请人：Lanter James C.

  公开号：US20090215848A1

  公开（公告）日：2009-08-27

  The present invention is directed to novel imidazolidin-2-one derivatives having a structure according to Formula I wherein a, b, R 1 , R 2 , R 3 , and R 4 are as defined above, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions modulated by the androgen receptor.

  本发明涉及具有以下公式I结构的新型咪唑啉-2-酮衍生物，其中a、b、R1、R2、R3和R4如上所定义，包含它们的制药组合物以及它们在治疗受雄激素受体调节的疾病和情况中的应用。