(+)-Efonidipine | 128194-12-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (+)-Efonidipine
• 英文别名: (S)-2-ethyl 5-(5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorinane-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylate；S(+)-efonidipine；(S)-efonidipine；(S)-2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylate；Efonidipine, (+)-；2-(N-benzylanilino)ethyl (4S)-5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
• CAS: 128194-12-7
• 化学式: C₃₄H₃₈N₃O₇P
• 分子量: 631.665
• InChiKey: NSVFSAJIGAJDMR-HKBQPEDESA-N

物化性质

• 沸点：
  746.9±60.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  45
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  123
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4,4'-[(3-硝基苯基)亚甲基]二吗啉 在 盐酸 、 sodium hydride 、 三氟乙酸 作用下， 以 甲苯 为溶剂， 反应 9.83h， 生成 (+)-Efonidipine
  参考文献：
  名称：

  Synthesis and Crystal Structure of Optically Active 2-(Benzyl(phenyl)amino)ethyl 5-(5,5-Dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylate(NZ-105).

  摘要：

  (S)-2-[苄基(苯基)氨基]乙基 5-(5, 5-二甲基-2-氧代-1, 3, 2-二氧磷杂膦-2-基)-1, 4-二氢-2, 6-通过分级结晶合成4-(3-硝基苯基)-3-吡啶甲酸二甲酯((S)-NZ-105)和R异构体(S)-2-甲氧基-2-苯乙基 5-(5, 5-二甲基-2-氧代-1, 3, 2-二氧磷杂膦-2-基)-1, 4-二氢-2, 6-二甲基-4 -(3-硝基苯基)-3-吡啶甲酸。单晶X射线衍射分析发现钙拮抗活性存在于S异构体中

  DOI：

  10.1248/cpb.40.2377

文献信息

• Dibenzyl Amine Compounds and Derivatives
  申请人：Chang George

  公开号：US20070213371A1

  公开（公告）日：2007-09-13

  Dibenzyl amine compounds and derivatives, pharmaceutical compositions containing such compounds and the use of such compounds to elevate certain plasma lipid levels, including high density lipoprotein-cholesterol and to lower certain other plasma lipid levels, such as LDL-cholesterol and triglycerides and accordingly to treat diseases which are exacerbated by low levels of HDL cholesterol and/or high levels of LDL-cholesterol and triglycerides, such as atherosclerosis and cardiovascular diseases in some mammals, including humans.

  二苯基胺化合物及其衍生物，含有这种化合物的药物组合物以及使用这种化合物提高某些血浆脂质水平，包括高密度脂蛋白胆固醇，并降低其他一些血浆脂质水平，如低密度脂蛋白胆固醇和甘油三酯，并据此治疗由高密度脂蛋白胆固醇水平低和/或低密度脂蛋白胆固醇和甘油三酯水平高加重的疾病，如动脉粥样硬化和心血管疾病在某些哺乳动物，包括人类。
• Aromatic amine derivative and use thereof
  申请人：Taniguchi Takahiko

  公开号：US20090325956A1

  公开（公告）日：2009-12-31

  The present invention provides a novel SCD inhibitor. An SCD inhibitor containing a compound represented by the formula [I] wherein ring A is an optionally substituted aromatic ring, ring B is an optionally substituted ring, ring C is an optionally substituted aromatic ring, R is a hydrogen atom, an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group, and X is a spacer having 1 to 5 atoms in the main chain, or a salt thereof, or a prodrug thereof.

  本发明提供了一种新型SCD抑制剂。一种包含由下式[I]表示的化合物的SCD抑制剂 其中环A是可选择取代的芳香环，环B是可选择取代的环，环C是可选择取代的芳香环，R是氢原子，可选择取代的碳氢基团或可选择取代的杂环基团，X是具有主链中1到5个原子的间隔物，或其盐，或其前药。
• [EN] FUSED RING COMPOUNDS AND USE THEREOF<br/>[FR] COMPOSÉS CYCLIQUES CONDENSÉS ET UTILISATION DE CEUX-CI
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2009125873A1

  公开（公告）日：2009-10-15

  The present invention aims to provide a glucokinase activator useful as a pharmaceutical agent such as an agent for the prophylaxis or treatment of diabetes, obesity and the like. The present invention provides a glucokinase activator containing a compound represented by the formula (I): wherein each symbol is defined in the specification, or a salt thereof or a prodrug thereof.

  本发明旨在提供一种葡萄糖激酶激活剂，可用作药用剂，如用于预防或治疗糖尿病、肥胖等疾病的药剂。本发明提供一种包含由式(I)表示的化合物的葡萄糖激酶激活剂：其中每个符号在规范中有定义，或其盐或前药。
• [EN] FUSED QUINOLINE DERIVATIVE AND USE THEREOF<br/>[FR] DÉRIVÉ DE QUINOLINE FUSIONNÉE ET UTILISATION DE CELUI-CI
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2005105802A1

  公开（公告）日：2005-11-10

  The present invention aims at provision of a quinoline derivative having a neurokinin 2 (NK2) receptor antagonistic action and relates to a compound represented by the formula (I) wherein Rl is a hydrogen atom and the like; R2 is a hydrogen atom, a hydrocarbon group optionally having substituent(s) and the like; R3 is unsubstituted (i.e., absence), a hydrogen atom and the like; R4 and R5 are the same or different and each is a hydrogen atom, a hydrocarbon group optionally having substituent(s), and the like; R6 is (cyclic group optionally having substituent(s)) -carbonyl, and the like; R7, R8, R9 and R10 are the same or different and each is a hydrogen atom, halogen and the like; or R7 and R8, R8 and R9, and R9 and R10 may form a ring together with the adjacent carbon atoms; n is an integer of 1 to 5; --- represents unsubstituted (i.e., absence) or a single bond; and --- represents a single bond or a double bond, or a salt thereof, and the like.

  本发明旨在提供一种具有神经激肽2（NK2）受体拮抗作用的喹啉衍生物，并涉及一种由式（I）表示的化合物，其中R1是氢原子等；R2是氢原子，可选地具有取代基的碳氢基团等；R3是未取代的（即缺失），氢原子等；R4和R5相同或不同，每个是氢原子，可选地具有取代基的碳氢基团等；R6是（环状基团，可选地具有取代基）-羰基等；R7、R8、R9和R10相同或不同，每个是氢原子，卤素等；或R7和R8、R8和R9、以及R9和R10可以与相邻的碳原子一起形成环；n是1到5的整数；---表示未取代的（即缺失）或单键；---表示单键或双键，或其盐等。
• [EN] AGENT FOR PREVENTING OR TREATING NEUROPATHY<br/>[FR] AGENT POUR LA PRÉVENTION OU LE TRAITEMENT DE NEUROPATHIE
  申请人：TAKEDA CHEMICAL INDUSTRIES LTD

  公开号：WO2004039365A1

  公开（公告）日：2004-05-13

  The present invention provides an agent for preventing or treating neuropathy having superior action and low toxicity. This agent comprises a compound represented by the formula:wherein ring A is a 5-membered aromatic heterocycle containing 2 or more nitrogen atoms, which may further have substituent(s);B is an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group;X is a divalent acyclic hydrocarbon group;Z is -O-, -S-, -NR2-, -CONR2- or -NR2CO- (R2 is a hydrogen atom or an optionally substituted alkyl group);Y is a bond or a divalent acyclic hydrocarbon group;R1 is an optionally substituted cyclic group, an optionally substituted amino group or an optionally substituted acyl group, provided that when the 5-membered aromatic heterocycle represented by ring A is imidazole, then Z should not be -O-, or a salt thereof.

  本发明提供了一种具有优越作用和低毒性的预防或治疗神经病的药剂。该药剂包括一个由以下式表示的化合物：其中环A是含有2个或更多氮原子的5元芳香杂环，可能进一步具有取代基；B是一个可选择取代的碳氢基团或可选择取代的杂环基团；X是二价的无环碳氢基团；Z是-O-，-S-，-NR2-，-CONR2-或-NR2CO-（R2是氢原子或可选择取代的烷基基团）；Y是键或二价的无环碳氢基团；R1是可选择取代的环基团，可选择取代的氨基团或可选择取代的酰基团，但当环A表示的5元芳香杂环是咪唑时，Z不应为-O-，或其盐。