isopropylammonium acetate

• 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: isopropylammonium acetate
• 英文别名: Propan-2-ylazanium;acetate
• 化学式: C₂H₄O₂*C₃H₉N
• 分子量: 119.164
• InChiKey: UEYFKZOEGBKMKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.44
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,6-二氯-5-硝基-2-苯基嘧啶 、 isopropylammonium acetate 以 1,4-二氧六环 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Discovery of 5-Nitro-6-thiocyanatopyrimidines as Inhibitors of Cryptococcus neoformans and Cryptococcus gattii

  摘要：

  DOI：

  10.1021/acsmedchemlett.1c00038
• 作为产物：
  描述：

  diacetyloxy(triphenyl)bismuth(2-) 、 异丙胺 生成 isopropylammonium acetate
  参考文献：
  名称：

  DODONOV, V. A.;GUSHCHIN, A. V., METALLOORGAN. XIMIYA, 3,(1990) N, S. 112-117

  摘要：

  DOI：

文献信息

• Synthesis and Evaluation of 4-Hydroxycoumarin Imines as Inhibitors of Class II Myosins
  作者：Jhonnathan Brawley、Emily Etter、Dante Heredia、Amarawan Intasiri、Kyle Nennecker、Joshua Smith、Brandon M. Welcome、Richard K. Brizendine、Thomas W. Gould、Thomas W. Bell、Christine Cremo

  DOI：10.1021/acs.jmedchem.0c01062

  日期：2020.10.8

  Inhibitors of muscle myosin ATPases are needed to treat conditions that could be improved by promoting muscle relaxation. The lead compound for this study ((3-(N-butylethanimidoyl)ethyl)-4-hydroxy-2H-chromen-2-one; BHC) was previously discovered to inhibit skeletal myosin II. BHC and 34 analogues were synthesized to explore structure–activity relationships. The properties of analogues, including solubility

  需要肌肉肌球蛋白 ATP 酶抑制剂来治疗可以通过促进肌肉放松来改善的病症。本研究的先导化合物（（3-（N-丁基乙酰亚胺酰基）乙基）-4-羟基-2 H - chromen -2-one；BHC）先前被发现可抑制骨骼肌球蛋白II。合成了 BHC 和 34 种类似物以探索结构-活性关系。类似物的特性，包括溶解性、稳定性和毒性，表明 BHC 支架可用于开发治疗方法。快骨骼肌和心肌肌球蛋白II，抑制骨骼肌收缩力的肌动蛋白活化的ATP酶活性的抑制离体，和减慢在体外测量了肌动蛋白滑动速度。与 BHC 相比，具有芳香侧臂的几种类似物对骨骼肌球蛋白与心脏肌球蛋白的效力（半数最大抑制浓度 (IC 50 ) <1 μM）和选择性（≥12 倍）均有所提高。几种类似物阻断了神经传递，表明它们对非肌肉肌球蛋白 II 的选择性高于骨骼肌球蛋白。竞争和分子对接研究表明 BHC 和 blebbistatin 结合到肌球蛋白的同一位点。
• Biocatalysts and methods for the synthesis of (S)-3-(1-aminoethyl)-phenol
  申请人：Cabirol Fabien

  公开号：US08852900B2

  公开（公告）日：2014-10-07

  The present disclosure provides engineered transaminase polypeptides having improved properties as compared to naturally occurring transaminases including the ability of converting the substrate, 3′-hydroxyacetophenone to (S)-3-(1-aminoethyl)-phenol in enantiomeric excess and high percentage conversion. Also provided are polynucleotides encoding the engineered transaminases, host cells capable of expressing the engineered transaminases, and methods of using the engineered transaminases to synthesize (S)-3-(1-aminoethyl)-phenol and related compounds useful in the production of active pharmaceutical ingredients.

  本公开提供了工程转氨酶多肽，其具有与天然转氨酶相比改进的性质，包括将底物3'-羟基乙酰苯酮转化为(S)-3-(1-氨基乙基)-苯酚的对映体过量和高百分比转化的能力。还提供了编码工程转氨酶的多核苷酸，能够表达工程转氨酶的宿主细胞，以及使用工程转氨酶合成(S)-3-(1-氨基乙基)-苯酚和相关化合物的方法，这些化合物有助于生产活性药物成分。
• BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF (S)-3-(1-AMINOETHYL)-PHENOL
  申请人：Cabirol Fabien

  公开号：US20130089898A1

  公开（公告）日：2013-04-11

  The present disclosure provides engineered transaminase polypeptides having improved properties as compared to naturally occurring transaminases including the ability of converting the substrate, 3′-hydroxyacetophenone to (S)-3-(1-aminoethyl)-phenol in enantiomeric excess and high percentage conversion. Also provided are polynucleotides encoding the engineered transaminases, host cells capable of expressing the engineered transaminases, and methods of using the engineered transaminases to synthesize (S)-3-(1-aminoethyl)-phenol and related compounds useful in the production of active pharmaceutical ingredients.

  本公开提供了经过改良的转氨酶多肽，其性能优于自然存在的转氨酶，包括将底物3'-羟基乙酰苯酮转化为(S)-3-(1-氨基乙基)-苯酚的对映体过量和高百分比转化能力。还提供了编码改良的转氨酶的多核苷酸、能够表达改良的转氨酶的宿主细胞，以及使用改良的转氨酶合成(S)-3-(1-氨基乙基)-苯酚及其相关化合物的方法，这些化合物在活性药物成分的生产中很有用。
• Dobonov, V. A.; Gushchkin, A. V.; Brilkina, T. G., Journal of general chemistry of the USSR, 1985, vol. 55, # 2, p. 413
  作者：Dobonov, V. A.、Gushchkin, A. V.、Brilkina, T. G.

  DOI：——

  日期：——
• 5-Alkyl-2-alkylamino-6-(2,6-difluorophenylalkyl)-3,4-dihydropyrimidin-4(3H)-ones, a new series of potent, broad-spectrum non-nucleoside reverse transcriptase inhibitors belonging to the DABO family
  作者：Antonello Mai、Marino Artico、Rino Ragno、Gianluca Sbardella、Silvio Massa、Chiara Musiu、Massimo Mura、Flavia Marturana、Alessandra Cadeddu、Giovanni Maga、Paolo La Colla

  DOI：10.1016/j.bmc.2005.01.005

  日期：2005.3

  2-Alkylamino-6-[1-(2,6-difluorophenyl)alkyl]-3,4-dihydro-5-alkylpyrimidin-4(3H)-ones (F-2-NH-DABOs) 4, 5 belonging to the dihydro-alkoxy-benzyl-oxopyrimidine (DABO) family and bearing different alkyl- and arylamino side chains at the C-2-position of the pyrimidine ring were designed as active against wild type (wt) human immunodeficiency virus type 1 (HIV-1) and some relevant HIV-1 mutants. Biological evaluation indicated the importance of the further anchor point of compounds 4, 5 into the nonnucleoside binding site (NNBS): newly synthesized compounds were highly active against both wild type and the Y181C HIV-1 strains. In anti-wt HIV-1 assay the potency of amino derivatives did not depend on the size or shape of the C-2-amino side chain, but it associated with the presence of one or two methyl groups (one at the pyrimidine C-5-position and the other at the benzylic carbon), being thymine, alpha-methyluracil or alpha-methylthymine derivatives almost equally active in reducing wt HIV-1-induced cytopathogenicity in MT-4 cells. Against the Y181C mutant strain, 2,6-difluorobenzyl-alpha-methylthymine derivatives 4d, 5h'-n' showed the highest potency and selectivity among tested compounds, both a properly sized C-2-NH side chain and the presence of two methyl groups (at C-5 and benzylic positions) being crucial for high antiviral action. (c) 2005 Elsevier Ltd. All rights reserved.