bay k 8644 | 115700-40-8

• 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
• 英文名称: bay k 8644
• 英文别名: Dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3-pyridinecarboxylic acid methyl ester；methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate
• CAS: 115700-40-8
• 化学式: C₁₆H₁₃F₃N₂O₄
• 分子量: 354.285
• InChiKey: APYDPHAWANMIQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  85
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  β-氨基巴豆酸甲酯 在 potassium permanganate 作用下， 以 溶剂黄146 、 丙酮 、 甲苯 为溶剂， 反应 3.0h， 生成 bay k 8644
  参考文献：
  名称：

  Darstellung 和 Chemische Charakterisierung Des Calcium-Agonisten Bay-K-8644 和 Der Nebenprodukte Bei Der Hantzsch-Synthese

  摘要：

  Die möglichen Nebenprodukte bei der Hantzsch-Synthese des Calcium-Agonisten Bay-K-8644 (1), die symmetrischen 1,4-Dihydropyridine (DHP) 2 und 3, die 1,2-DHP 12, die Tetrahydropyrimidine (THPM) 16 das Hydrobenzamid 18 和 das Amarin 19 werden dargestellt。Als neuer Verbindungstyp wird das Nitroalkyl-Aldimin 13 isoliert。Durch Dehydrierung werden die zu erwartenden Metabolite, die Pyridine 9 und 14 und das

  DOI：

  10.1002/ardp.2503241004

文献信息

• Oxidation of dihydropyridine calcium channel blockers and analogs by human liver cytochrome P-450 IIIA4
  作者：F. Peter Guengerich、William R. Brian、Masahiko Iwasaki、Marie Agnes Sari、Catharina Baeaernhielm、Peder Berntsson

  DOI：10.1021/jm00110a012

  日期：1991.6

  A series of 21 different 4-substituted 2,6-dimethyl-3-(alkoxycarbonyl)-1,4-dihydropyridines was considered with regard to oxidation to pyridine derivatives by human liver microsomal cytochrome P-450 (P-450). Antibodies raised against P-450 IIIA4 inhibited the microsomal oxidation of nifedipine and felodipine to the same extent, as did cimetidine and the mechanism-based inactivator gestodene. Gestodene was approximately 10(3) times more effective an inhibitor than cimetidine, on a molar basis. When rates of oxidation of the 1,4-dihydropyridines were compared to each other in different human liver microsomal preparations, all were highly correlated with each other with the exceptions of a derivative devoid of a substituent at the 4-position and an N1-CH3 derivative. A P-4.50 IIIA4 cDNA clone was expressed in yeast and the partially purified protein was used in reconstituted systems containing NADPH-cytochrome P-450 reductase and cytochrome b5. This system catalyzed the oxidation of all of the 1,4-dihydropyridines except the two for which poor correlation was seen in the liver microsomes. Principal component analysis supported the view that most of these reactions were catalyzed by the same enzyme in the yeast P-450 IIIA4 preparation and in the different human liver microsomal preparations, or by a closely related enzyme showing nearly identical properties of catalytic specificity and regulation. The results indicate that the enzyme P-450 IIIA4 is probably the major human catalyst involved in the formal dehydrogenation of most but not all 1,4-dihydropyridine drugs.
• DIRECT REPROGRAMMING OF CELLS TO CARDIAC MYOCYTE FATE
  申请人：Duke University

  公开号：EP2591095A2

  公开（公告）日：2013-05-15
• COMPOSITION
  申请人：The University Of Nottingham

  公开号：EP3071186A2

  公开（公告）日：2016-09-28
• [EN] FOAM CELL DRUG DELIVERY<br/>[FR] ADMINISTRATION DE MEDICAMENTS PAR LE BIAIS DE CELLULES SPUMEUSES
  申请人：ENDOCON, INC.

  公开号：WO1994023706A1

  公开（公告）日：1994-10-27

  (EN) Methods and pharmaceutical compositions for delivering a clinically relevant agent to a mammalian recipient $i(in vivo) are provided. The methods involve forming a foam cell from an isolated foam cell precursor $i(in vitro), incorporating an agent into the foam cell, and administering the foam cell containing the agent to the mammalian recipient. In a preferred embodiment, the foam cell precursors are isolated from a human recipient, treated, and returned to the patient in the form of a foam cell containing a therapeutically effective amount of the agent.(FR) Méthodes et compositions pharmaceutiques d'administration $i(in vivo) à un mamifère d'une substance à usage clinique. La méthode consiste à former $i(in vitro) des cellules spumeuses à partir de précursseurs ayant été isolés préalablement, à incorporer ladite substance aux cellules spumeuses, puis à administrer les cellules spumeuses contenant la substance au mamifère receveur. Dans une réalisation préconisée, les précurseurs des cellules spumeuses sont isolés à partir d'un receveur humain, traités, puis retournés au patient sous forme de cellules spumeuses contenant une dose à effet thérapeutique de la substance.
• [EN] NMDA RECEPTOR MODULATION AND TREATMENTS FOR ADDICTIVE BEHAVIOR<br/>[FR] MODULATION DU RÉCEPTEUR NMDA ET TRAITEMENTS POUR LE COMPORTEMENT D'ACCOUTUMANCE
  申请人：UNIV GEORGIA RESEACH FOUNDATIO

  公开号：WO2008098245A2

  公开（公告）日：2008-08-14

  [EN] The instant disclosure relates generally to methods for treating an individual with a psychiatric disorder with a pharmacologic agent that enhances learning or conditioning in combination with psychotherapy. In one aspect, the disclosure provides a method of treating addictive disorder comprising administering to a subject in need thereof a pharmaceutically effective amount of a NMDA receptor modulatory agent prior to, concurrent with, or following extinction training whereby the reinstatement of drug seeking behavior is reduced.
  [FR] L'invention concerne en général des procédés pour le traitement d'une personne ayant un trouble psychiatrique avec un agent pharmacologique qui améliore l'apprentissage et le conditionnement en combinaison avec une psychothérapie. Selon un aspect, la révélation propose un procédé pour traiter un trouble d'accoutumance comprenant l'administration à un sujet en manque d'une quantité pharmaceutiquement efficace d'un agent modulateur du récepteur NMDA avant, en même temps ou après une rééducation d'extinction, moyennant quoi la réapparition du comportement toxicomaniaque est réduite.