N-羟基-2-甲氧基盐酸乙脒 | 95298-88-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-羟基-2-甲氧基盐酸乙脒
• 中文别名: N-羟基-2-甲氧基乙脒
• 英文名称: (1Z)-N'-hydroxy-2-methoxyethanimidamide
• 英文别名: (Z)-N'-hydroxy-2-methoxyacetimidamide；2-methoxyacetamidoxime；Methoxyacetamide oxime；methoxyacetamidoxime；(methyloxy)ethamidoxime；N'-hydroxy-2-methoxyethanimidamide
• CAS: 95298-88-7
• 化学式: C₃H₈N₂O₂
• mdl: MFCD05663170
• 分子量: 104.109
• InChiKey: UNKQCVYVFHGUTQ-UHFFFAOYSA-N

物化性质

• 沸点：
  162.0±42.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  67.8
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2925290090

反应信息

• 作为反应物：
  描述：

  氢溴酸槟榔碱 、 N-羟基-2-甲氧基盐酸乙脒 在 4 A molecular sieve 、 sodium 作用下， 生成 3-(methoxymethyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole
  参考文献：
  名称：

  Muscarinic cholinergic agonists and antagonists of the 3-(3-alkyl-1,2,4-oxadiazol-5-yl)-1,2,5,6-tetrahydropyridine type. Synthesis and structure-activity relationships

  摘要：

  A series of 3-(3-alkyl-1,2,4-oxadiazol-5-yl)-1,2,5,6-tetrahydro-1-methylpyridines (2a-q) were synthesized and tested for central muscarinic cholinergic receptor binding affinity by using [H-3]oxotremorine-M and [H-3]QNB as ligands and in a functional assay using guinea pig ileum. The analogues with unbranched C1-8-alkyl substituents (2a-g) were agonist, whereas the compounds with branched or cyclic substituents (2h-m) were antagonists. The alkyl ether analogues (2o-q) were also agonists but had lower receptor binding affinity than the corresponding alkyl analogues. The 3-(5-alkyl-1,2,4-oxadiazol-3-yl)-1,2,5,6-tetrahydro-1-methylpyridine analogues had only very low affinity for the central muscarinic receptors and were weak antagonists in the ileum assay. A few 3-(3-butyl-1,2,4-oxadiazol-5-yl)-1,2,5,6-tetrahydro-1-methylpyridines substituted with methyl or hydrogen in the 1-, 5-, or 6-position were synthesized and tested. N-Desmethyl analogue 7 was a potent muscarinic agonist, whereas N-desmethyl-5-methyl analogue 11 and N-methyl-6-methyl analogue 13 both were antagonists with lower muscarinic receptor affinity. The 3-(3-butyl-1,2,4-oxadiazol-5-yl)quinuclidine (17) and tropane (15) analogues were both very potent antagonists with high affinity for central muscarinic receptors. The ratio [IC50(QNB)/IC50(Oxo-M)] x 0.162 proved to be a good indicator of the efficacy of the compounds in the guinea pig ileum assay.

  DOI：

  10.1021/jm00106a033
• 作为产物：
  描述：

  甲氧基乙腈 在 羟胺 作用下， 以 水 为溶剂， 生成 N-羟基-2-甲氧基盐酸乙脒
  参考文献：
  名称：

  PTSA-ZnCl 2：一种由氨基肟和有机腈合成1,2,4-恶二唑的高效催化剂

  摘要：

  事实证明，PTSA-ZnCl 2是一种高效，温和的催化剂，用于由a肟和有机腈合成3,5-二取代-1,2,4-恶二唑。

  DOI：

  10.1021/jo900818h

文献信息

• [EN] [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES<br/>[FR] [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES
  申请人：BAYER AG

  公开号：WO2021028382A1

  公开（公告）日：2021-02-18

  The present invention covers [1,2,4]triazolo[1,5-c]quinazolin-5-amine compounds of general formula (I) in which R1, R2, R3, R4, R5, R6, R7 and R8 are as defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds and the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular of cancer or conditions with dysregulated immune responses or other disorders associated with aberrant AHR signaling, as a sole agent or in combination with other active ingredients.

  本发明涵盖了通式（I）中R1、R2、R3、R4、R5、R6、R7和R8如所定义的[1,2,4]三唑并[1,5-c]喹唑啉-5-胺化合物，以及制备所述化合物的方法，用于制备所述化合物的有用中间体化合物，包含所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是癌症或与异常AHR信号传导相关的疾病，或与失调免疫反应或其他与异常AHR信号传导相关的疾病有关的情况，作为唯一药剂或与其他活性成分组合使用。
• Non-peptide antagonists of GLP-1 receptor and methods of use
  申请人：Agouron Pharmaceuticals, Inc.

  公开号：US06469021B1

  公开（公告）日：2002-10-22

  Non-peptide compounds that act as antagonists of the intestinal hormone glucagons-like peptide 1 (GLP-1) have a 9H-b-carboline central motif. The compounds exhibit advantageous physical, chemical and biological properties and inhibit GLP-1 peptide binding to the GLP-1 receptor and/or prevent activation of the receptor by bound GLP-1. The invention further relates to a method of inhibiting the binding of GLP-1 to the GLP-1 receptor and a method of inhibiting the activation of the GLP-1 receptor. Intermediate compounds useful for making non-peptide GLP-1 receptor antagonists are also described.

  非肽类化合物作为肠道激素胰高血糖素样肽1（GLP-1）的拮抗剂，具有一个9H-b-咔啉中心基团。这些化合物具有有利的物理、化学和生物特性，能够抑制GLP-1肽与GLP-1受体的结合，或者阻止受体通过结合的GLP-1而被激活。该发明还涉及一种抑制GLP-1与GLP-1受体结合的方法，以及一种抑制GLP-1受体激活的方法。还描述了用于制备非肽类GLP-1受体拮抗剂的中间体化合物。
• 4-phenylpiperidine compounds and their use
  申请人：A/S Ferrosan

  公开号：US04845095A1

  公开（公告）日：1989-07-04

  Piperidine compounds having the formula ##STR1## wherein R.sup.1 is hydrogen, (C.sub.1-6 -alkoxyaryl)alkyl, diphenylmethozy-C.sub.1-6 -alkyl, C.sub.1-8 -alkyl, C.sub.4-10 -cycloalkylalkyl, phenoxy-C.sub.1-8 -alkyl, or C.sub.1-6 -alkoxy-C.sub.1-6 -alkyl; and R is ##STR2## or CH.dbd.NOR' wherein R' is C.sub.1-6 -alkyl, C.sub.3-7 -cycloalkyl, C.sub.1-6 -alkoxy-C.sub.1-6 -alkyl, aryl-C.sub.0-6 -alkyl, which may optionally be substituted with one or more halogen and (.sub.1-5 -alkoxy, thienyl, or C.sub.4-7 -cycloalkylalkyl. The novel compounds are useful for the treatment of pain conditions and as neuroleptics.

  含有以下结构的哌啶化合物：其中R.sup.1是氢，(C.sub.1-6 -烷氧基芳基)烷基，二苯甲氧基-C.sub.1-6 -烷基，C.sub.1-8 -烷基，C.sub.4-10 -环烷基烷基，苯氧基-C.sub.1-8 -烷基，或C.sub.1-6 -烷氧基-C.sub.1-6 -烷基；而R是##STR2##或CH.dbd.NOR'，其中R'是C.sub.1-6 -烷基，C.sub.3-7 -环烷基，C.sub.1-6 -烷氧基-C.sub.1-6 -烷基，芳基-C.sub.0-6 -烷基，可以选择地用一个或多个卤素和(.sub.1-5 -烷氧基，噻吩基，或C.sub.4-7 -环烷基烷基替代。这些新化合物可用于治疗疼痛症状和作为神经精神药。
• [EN] SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT<br/>[FR] COMPOSÉS À CYCLOPROPYLE SUBSTITUÉ, COMPOSITIONS CONTENANT DE TELS COMPOSÉS ET MÉTHODES DE TRAITEMENT
  申请人：MERCK SHARP & DOHME

  公开号：WO2012138845A1

  公开（公告）日：2012-10-11

  Substituted cyclopropyl compounds of the formula I: and pharmaceutically acceptable salts thereof are disclosed as useful for treating or preventing type 2 diabetes and similar conditions. The compounds are useful as agonists of the G-protein coupled receptor GPR-119. Pharmaceutical compositions and methods of treatment are also included

  公开了化学式I的环丙基化合物及其药学上可接受的盐，用于治疗或预防2型糖尿病和类似疾病。这些化合物可用作G蛋白偶联受体GPR-119的激动剂。还包括药物组合物和治疗方法。
• [EN] HETEROCYCLIC GPCR AGONISTS<br/>[FR] AGONISTES DES RÉCEPTEURS COUPLÉS AUX PROTÉINES G (GPCR) HÉTÉROCYCLIQUES
  申请人：PROSIDION LTD

  公开号：WO2010004348A1

  公开（公告）日：2010-01-14

  Compounds of formula (I): or pharmaceutically acceptable salts thereof, are GPCR (GPR119) agonists and are useful as for the treatment of diabetes and obesity.

  式（I）的化合物或其药用可接受的盐是GPCR（GPR119）激动剂，可用于治疗糖尿病和肥胖。