2-羟基-5-碘烟酸 | 390360-97-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-羟基-5-碘烟酸
• 英文名称: 2-hydroxy-5-iodonicotinic acid
• 英文别名: 5-iodo-2-hydroxypyridine-3-carboxylic acid；5-iodo-2-hydroxynicotinic acid；5-iodo-2-oxo-1H-pyridine-3-carboxylic acid
• CAS: 390360-97-1
• 化学式: C₆H₄INO₃
• mdl: MFCD11100199
• 分子量: 265.007
• InChiKey: WIUHBFOGCTVLEH-UHFFFAOYSA-N

物化性质

• 熔点：
  264-266°

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  2-羟基-5-碘烟酸 在 氯化亚砜 、 叔丁基锂 、 三乙胺 、 N,N-二异丙基乙胺 、 N,N-二甲基甲酰胺 、 (-)-(1R)-(10-camphorsulfonyl)oxaziridine 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 反应 17.58h， 生成 2-chloro-5-(2-methoxyethoxymethoxy)-N,N-dimethylpyridine-3-carboxamide
  参考文献：
  名称：

  N-Arylpiperazinyl-N‘-propylamino Derivatives of Heteroaryl Amides as Functional Uroselective α₁-Adrenoceptor Antagonists

  摘要：

  Novel arylpiperazines were identified as alpha(1)-adrenoceptor(BR) subtype-selective antagonists by functional in vitro screening. 3-[4-(ortho-Substituted phenyl)piperazin-1-yl]propylamines were derivatized with N,N-dimethyl anthranilamides, nicotinamides,;as well as carboxamides of quinoline, I,8-naphthyridine, pyrazolo[3,4-b]pyridine, isoxazolo[3,4-b]pyridine, imidazo[4,5-b]pyridine, and pyrazolo[1,5-a]pyrimidines. Strips of rabbit bladder neck were employed as a predictive assay for antagonism in the human lower tract. Rings of rat aorta;a were used as a ''negative screen'' for the test antagonists. Binding to alpha(1)-ARs was relatively sensitive to size and electronic features of the arylpiperazine portion of the antagonists and permissive to these features on the heteroaryl carboxamide side. These structure-affinity findings were exploited to produce nicotinamides (e.g, 13ii and 25x) and pyrazolo[3,4-b]pyridines (e.g. 37f and 37y) ligands with nanomolar affinity at the alpha(1)-AR subtype prevalent in the human lower urinary tract (pA(2) values: 8.8, 10.7, 9.3, and 9.9, respectively) and displaying 2-3 orders of magnitude selectivity over the alpha(1D)-AR.

  DOI：

  10.1021/jm970166j
• 作为产物：
  描述：

  2-羟基烟酸 在 N-碘代丁二酰亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 21.0h， 以76%的产率得到2-羟基-5-碘烟酸
  参考文献：
  名称：

  口服活性生长素释放肽受体反向激动剂及其对大鼠肥胖模型的作用。

  摘要：

  制备一系列2-烷基氨基烟酰胺类似物作为口服活性生长素释放肽受体（ghrelinR）反向激动剂。从化合物1开始，通过修饰代谢不稳定的位点并降低分子量，改善了口服生物利用度。在肥胖症的大鼠模型中测试了具有低脑通透性的脑通透性化合物33和化合物24；30 mg / kg的化合物33抑制了体重增加。PK / PD分析显示，ghrelinR反向激动剂的抗肥胖作用取决于他们的大脑浓度。

  DOI：

  10.1016/j.bmc.2015.05.047

文献信息

• [EN] PYRIDINYL BASED APOPTOSIS SIGNAL-REGULATION KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASE DE RÉGULATION DU SIGNAL APOPTOTIQUE À BASE DE PYRIDINYLE
  申请人：FRONTHERA U S PHARMACEUTICALS LLC

  公开号：WO2018151830A1

  公开（公告）日：2018-08-23

  Apoptosis signal-regulating kinase 1 (ASK1) activation and signaling have been reported to play an important role in a broad range of diseases including neurodegenerative, cardiovascular, inflammatory, autoimmunity and metabolic disorders. Disclosed herein is the synthesis of pyridinyl derived therapeutic agents that function as inhibitors of ASK 1 as well as their pharmaceutical compositions and methods of use.

  细胞凋亡信号调节激酶1（ASK1）的激活和信号传导据报道在包括神经退行性、心血管、炎症、自身免疫和代谢紊乱等广泛疾病中发挥重要作用。本文披露了一种以吡啶基衍生的治疗剂的合成，其作为ASK1的抑制剂以及它们的药物组合物和使用方法。
• Heterocycle carboxamides as antiviral agents
  申请人：——

  公开号：US20020025960A1

  公开（公告）日：2002-02-28

  The present invention provides a compound of formula I 1 which is useful as antiviral agents, in particular, as agents against viruses of the herpes family.

  本发明提供了一种化合物，其化学式为I1，可作为抗病毒药物，特别是用作抗疱疹病毒家族的药物。
• [EN] NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS<br/>[FR] NOUVEAU COMPOSES A CYCLE RAMIFIE EN 14 ET 15.
  申请人：GLAXO GROUP LTD

  公开号：WO2004101586A1

  公开（公告）日：2004-11-25

  The present invention relates to 14- or 15-membered macrolides substituted at the 4' position of formula (I) and pharmaceutically acceptable derivatives thereof, to processes for their preparation and their use in therapy or prophylaxis of systemic or topical microbial infections in a human or animal body.

  本发明涉及在式(I)的14-或15-元大环内在4'位置被取代的大环内酯及其药学上可接受的衍生物，以及它们的制备过程和在人体或动物体内治疗或预防全身或局部微生物感染中的用途。
• N-adamantlmethyl derivatives and intermediates as pharmaceutical compositions and processes for their preparation
  申请人：Alcaraz Lilian

  公开号：US20050010052A1

  公开（公告）日：2005-01-13

  The invention provides compounds of general formula (I) in which m, A, R 1 and Ar have the meanings defined in the specification; a process for, and intermediates used in, their preparation; pharmaceutical compositions containing them; a process for preparing the pharmaceutical compositions; and their use in therapy.

  该发明提供了通式(I)中的化合物，其中m，A，R1和Ar具有规范中定义的含义；用于制备它们的过程和中间体；含有它们的制药组合物；制备制药组合物的过程；以及它们在治疗中的应用。
• MACROLONE COMPOUNDS
  申请人：Forrest Andrew Keith

  公开号：US20090062218A1

  公开（公告）日：2009-03-05

  A compound of formula (I) compositions comprising same, processes for their preparation and use of said compounds, particularly in the treatment of microbial infections.

  一种化合物的公式(I)，包括该化合物的组合物，其制备过程以及该化合物的用途，特别是用于治疗微生物感染。