N-t-Boc-β-Ala-NMe2 | 154656-93-6

• 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-t-Boc-β-Ala-NMe2
• 英文别名: tert-butyl N-[3-(dimethylamino)-3-oxo-propyl]carbamate；N-(t-Butyloxycarbonyl)-β-alanine dimethylamide；tert-butyl 3-(dimethylamino)-3-oxopropylcarbamate；tert-butyl N-[3-(dimethylamino)-3-oxopropyl]carbamate
• CAS: 154656-93-6
• 化学式: C₁₀H₂₀N₂O₃
• mdl: MFCD09817368
• 分子量: 216.28
• InChiKey: GMPAJBACLZYLAS-UHFFFAOYSA-N

物化性质

• 沸点：
  337.0±25.0 °C(Predicted)
• 密度：
  1.028±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-t-Boc-β-Ala-NMe2 在 sodium hydride 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 5.58h， 生成 Carbamic acid, [(1S)-3-[[3-(dimethylamino)-3-oxopropyl](methylsulfonyl)amino]-1-methyl-2-oxopropyl]-, phenylmethyl ester
  参考文献：
  名称：

  Synthesis and testing of azaglutamine derivatives as inhibitors of Hepatitis A Virus (HAV) 3C proteinase

  摘要：

  Hepatitis A virus (HAV) 3C proteinase is a picornaviral cysteine proteinase that is essential for cleavage of the initially synthesized viral polyprotein precursor to mature fragments and is therefore required for viral replication in vivo. Since the enzyme generally recognizes peptide substrates with L-glutamine at the P-1 site, four types of analogues having an azaglutamine residue were chemically synthesized: hydrazo-o-nitrophenylsulfenamides A (e.g. 16); frame-shifted hydrazo-o-nitrophenylsulfenamides B (e.g. 25-28); the azaglutamine sulfonamides C (e.g. 7, 8, 11, 12); and haloacetyl azaglutamine analogues 2 and 3. Testing of these compounds for inhibition of the HAV 3C proteinase employed a C24S mutant in which the non-essential surface cysteine was replaced with serine and which displays identical catalytic parameters to the wild-type enzyme. Sulfenamide 16 (type A) showed no significant inhibition. Sulfenamide 27 (type B) had an IC50 of ca 100 mu M and gave time-dependent inactivation of the enzyme due to disulfide bond formation with the active site cysteine thiol, as demonstrated by electrospray mass spectrometry. Sulfonamide 8 (type C) was a weak competitive inhibitor with an IC50 of approximately 75 mu M. The haloacetyl azaglutamine analogues 2 and 3 were time-dependent irreversible inactivators of HAV 3C proteinase with rate constants k(obs)[I] of 680 M-1 s(-1) and 870 M-1 s(-1), respectively, and were shown to alkylate the active site thiol. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00006-1
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 N-羟基丁二酰亚胺 、 potassium carbonate 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 23.5h， 生成 N-t-Boc-β-Ala-NMe2
  参考文献：
  名称：

  Dado; Gellman, Journal of the American Chemical Society, 1994, vol. 116, # 3, p. 1054 - 1062

  摘要：

  DOI：

文献信息

• [EN] HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES, MÉDICAMENTS CONTENANT LESDITS COMPOSÉS, UTILISATION DE CEUX-CI ET PROCÉDÉS POUR LA PRÉPARATION DE CEUX-CI
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2013092674A1

  公开（公告）日：2013-06-27

  The present invention relates to compounds of general formula (I) and the tautomers and the salts thereof, particularly the pharmaceutically acceptable salts thereof with inorganic or organic acids and bases, which have valuable pharmacological properties, particularly an inhibitory effect on epithelial sodium channels, the use thereof for the treatment of diseases, particularly diseases of the lungs and airways.

  本发明涉及一般式(I)的化合物，以及其互变异构体和盐，特别是其与无机或有机酸和碱形成的药用盐，具有有价值的药理特性，特别是对上皮钠通道具有抑制作用，其用于治疗疾病，特别是肺部和气道疾病。
• Thiazole benzamide derivatives and pharmaceutical compositions for inhibiting cell proliferation, and methods for their use
  申请人：——

  公开号：US20030225147A1

  公开（公告）日：2003-12-04

  Aminothiazole compounds with mono-/di-substituted benzamide are represented by the Formula (I), and their pharmaceutically acceptable salts, pharmaceutically acceptable prodrugs, pharmaceutically active metabolites, and pharmaceutically acceptable salts of said metabolites are described. 1 These agents modulate and/or inhibit the cell proliferation and activity of protein kinases and are useful as pharmaceuticals for treating malignancies and other disorders.

  氨基噻唑化合物与单取代/双取代苯甲酰胺的结构由式(I)表示，并描述了它们的药学上可接受的盐、药学上可接受的前药、药学上活性代谢物以及所述代谢物的药学上可接受的盐。 这些药物调节和/或抑制细胞增殖和蛋白激酶活性，并可用作治疗恶性肿瘤和其他疾病的药物。
• NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUTED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES
  申请人：MUTHUPPALANIAPPAN Meyyappan

  公开号：US20110281865A1

  公开（公告）日：2011-11-17

  The present invention provides, inter alia, compounds of formula I as protein kinase modulators, methods of preparing them, pharmaceutical compositions containing them and methods of treatment, prevention and/or amelioration of kinase mediated diseases or disorders with them.

  本发明提供了一种公式I的化合物作为蛋白激酶调节剂，以及它们的制备方法、含有它们的药物组合物，以及利用它们治疗、预防和/或改善激酶介导的疾病或紊乱的方法。
• Carbapenem derivatives and a preparation method thereof
  申请人：Korea Institute of Science and Technology

  公开号：US06436921B1

  公开（公告）日：2002-08-20

  The present invention relates to carbapenem derivatives of Formula I, wherein X is carbonyl or sulfonyl, and a preparation method thereof. The carbapenem derivatives of the invention have excellent antibacterial properties and are thus useful as antibiotics.

  本发明涉及式I的头孢烯类衍生物，其中X为羰基或磺酰基，以及其制备方法。本发明的头孢烯类衍生物具有优秀的抗菌性能，因此可用作抗生素。
• NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5-DISUBSTITUTED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES
  申请人：Rhizen Pharmaceuticals SA

  公开号：US20130261116A1

  公开（公告）日：2013-10-03

  The present invention provides, inter alia, compounds of formula I as protein kinase modulators, methods of preparing them, pharmaceutical compositions containing them and methods of treatment, prevention and/or amelioration of kinase mediated diseases or disorders with them.

  本发明提供了一些公式I化合物作为蛋白激酶调节剂，它们的制备方法，包含它们的制药组合物，以及使用它们进行激酶介导的疾病或障碍的治疗、预防和/或改善的方法。