N-t-Boc-β-ala hydroxyethylamide | 828262-84-6

• 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 hydroxyethylamide
• 英文别名: tert-butyl N-[3-(2-hydroxyethylamino)-3-oxopropyl]carbamate
• CAS: 828262-84-6
• 化学式: C₁₀H₂₀N₂O₄
• mdl: MFCD24388950
• 分子量: 232.28
• InChiKey: YCUJSJUAVZLEPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 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：
  87.7
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-t-Boc-β-ala hydroxyethylamide 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成 N-t-Boc di-β-ala-O-acryloyl hydroxyethylamide
  参考文献：
  名称：

  对人乙二醛酶I具有亚纳摩尔亲和力的新型二价抑制剂

  摘要：

  锌金属酶乙二醛酶I（GlxI）催化谷胱甘肽依赖性细胞毒性甲基乙二醛的失活。两个竞争性的二价GlxI抑制剂，polyBHG2-62（ķ我 = 1.0纳米）和polyBHG2-54（ķ我 = 0.3纳米），合成基于所述过渡态类似物小号- （Ñ -bromophenyl- Ñ -hydroxycarbamoyl）谷胱甘肽（ BHG）。最有效的抑制剂polyBHG2-54是GlxI的第一个纳摩尔分子抑制剂，效力比BHG本身高50倍以上。

  DOI：

  10.1016/j.bmcl.2015.08.055
• 作为产物：
  描述：

  Boc-beta-丙氨酸 在 TEA 作用下， 以 四氢呋喃 为溶剂， 生成 N-t-Boc-β-ala hydroxyethylamide
  参考文献：
  名称：

  Synthesis and biological properties of new 1β-methylcarbapenems

  摘要：

  The synthesis and biological activity of the novel series of 1 beta-methylcarbapenems, 1 and 2 were described. Most compounds displayed high potent antibacterial activity. The best compound in this series, 2a (IH201; R-2=NH2) showed an excellent and a broad spectrum as well as high renal DHP-I stability. It also possessed good in vivo efficacy and high safety. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00270-4

文献信息

• [EN] PYRROLOPYRAZINE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE PYRROLOPYRAZINE KINASE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013030138A1

  公开（公告）日：2013-03-07

  The present invention relates to the use of novel pyrrolopyrazine derivatives of Formula I, wherein the variables are defined as described herein, which inhibit JAK and SYK and are useful for the treatment of auto-immune and inflammatory diseases.

  本发明涉及式I的新型吡咯并吡嗪衍生物的使用，其中变量如本文所述定义，其抑制JAK和SYK，并可用于治疗自身免疫和炎症性疾病。
• PYRROLOPYRAZINE KINASE INHIBITORS
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2763990A1

  公开（公告）日：2014-08-13
• [EN] NOVEL FERROPORTIN INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS DE LA FERROPORTINE
  申请人：VIFOR (INTERNATIONAL) AG

  公开号：WO2017068089A2

  公开（公告）日：2017-04-27

  The invention relates to novel ferroportin inhibitors of the general formula (I) pharmaceutical compositions comprising them and the use thereof as medicaments, in particular for the prophylaxis and/or treatment of diseases caused by a lack of hepcidin or iron metabolism disorders, such as particularly iron overload states such as in particular thalassemia and hemochromatosis.
• Synthesis and biological properties of new 1β-methylcarbapenems
  作者：Kye Jung Shin、Kyung Ho Yoo、Dong Jin Kim、Sang Woo Park、Bong Suck Ko、Sang Joo Lee、Jae Doo Huh、Seung Yong Park

  DOI：10.1016/s0960-894x(98)00270-4

  日期：1998.7

  The synthesis and biological activity of the novel series of 1 beta-methylcarbapenems, 1 and 2 were described. Most compounds displayed high potent antibacterial activity. The best compound in this series, 2a (IH201; R-2=NH2) showed an excellent and a broad spectrum as well as high renal DHP-I stability. It also possessed good in vivo efficacy and high safety. (C) 1998 Elsevier Science Ltd. All rights reserved.
• Novel bivalent inhibitors with sub-nanomolar affinities towards human glyoxalase I
  作者：Yankui Sang、Qing Shi、Mingguang Mo、Caixia Ni、Zonghe Li、Bichong Liu、Qishan Deng、Donald J. Creighton、Zhe-Bin Zheng

  DOI：10.1016/j.bmcl.2015.08.055

  日期：2015.11

  The zinc metalloenzyme glyoxalase I (GlxI) catalyzes the glutathione-dependent inactivation of cytotoxic methylglyoxal. Two competitive bivalent GlxI inhibitors, polyBHG2-62 (Ki = 1.0 nM) and polyBHG2-54 (Ki = 0.3 nM), were synthesized based on the transition-state analog S-(N-bromophenyl-N-hydroxycarbamoyl) glutathione (BHG). The most effective inhibitor, polyBHG2-54, is the first subnanomolar inhibitor

  锌金属酶乙二醛酶I（GlxI）催化谷胱甘肽依赖性细胞毒性甲基乙二醛的失活。两个竞争性的二价GlxI抑制剂，polyBHG2-62（ķ我 = 1.0纳米）和polyBHG2-54（ķ我 = 0.3纳米），合成基于所述过渡态类似物小号- （Ñ -bromophenyl- Ñ -hydroxycarbamoyl）谷胱甘肽（ BHG）。最有效的抑制剂polyBHG2-54是GlxI的第一个纳摩尔分子抑制剂，效力比BHG本身高50倍以上。