ZD7114盐酸盐 | 129689-30-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: ZD7114盐酸盐
• 中文别名: 2-[4-[2-[[(2S)-2-羟基-3-苯氧丙基]氨基]乙氧基]苯氧基]-N-(2-甲氧基乙基)乙胺
• 英文名称: (S)-4-(2-hydroxy-3-phenoxypropylaminoethoxy)-N-(2-methoxyethyl)phenoxyacetamide
• 英文别名: ICI D7114；ZD 7114；Acetamide, 2-(4-(2-((2-hydroxy-3-phenoxypropyl)amino)ethoxy)phenoxy)-N-(2-methoxyethyl)-, (S)-；2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]-N-(2-methoxyethyl)acetamide
• CAS: 129689-30-1
• 化学式: C₂₂H₃₀N₂O₆
• 分子量: 418.49
• InChiKey: RVMBDLSFFNKKLG-SFHVURJKSA-N

物化性质

• 沸点：
  649.1±55.0 °C(Predicted)
• 密度：
  1.172±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  30
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.409
• 拓扑面积：
  98.3
• 氢给体数：
  3
• 氢受体数：
  7

安全信息

• 海关编码：
  2924299090

反应信息

• 作为产物：
  描述：

  2-(4-{2-[Benzyl-((S)-2-hydroxy-3-phenoxy-propyl)-amino]-ethoxy}-phenoxy)-N-(2-methoxy-ethyl)-acetamide 在 palladium on activated charcoal 氢气 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 60.0 ℃ 、2.0 MPa 条件下， 反应 48.0h， 生成 ZD7114盐酸盐
  参考文献：
  名称：

  Selective .beta.3-adrenergic agonists of brown adipose tissue and thermogenesis. 1. [4-[2-[(2-Hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetates

  摘要：

  The ester methyl [4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetate (8) has been identified as the most interesting member of a series of selective beta-3-adrenergic agonists of brown adipose tissue and thermogenesis in the rat. In vivo it acts mainly via the related acid 10. Potency was generally markedly reduced by placing substituents on the phenyl ring of the phenoxypropanolamine unit of 8; only the 2-fluoro analogue 16 had comparable potency to 8. Other structure-activity relationships are discussed. Further testing of 8 (ICI 198157) has shown that in the rat it stimulates the beta-3-adrenergic receptor in brown adipose tissue at doses lower than those at which it affects beta-1 and beta-2 adrenergic receptors in other tissues. It increases metabolic rate, as judged by an increase in oxygen consumption, and in the genetically obese Zucker rat it causes a reduced rate of weight gain. This class of compound may be useful in the treatment of obesity in man.

  DOI：

  10.1021/jm00088a009

文献信息

• [EN] GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME<br/>[FR] ACTIVATEURS DE GLUCOKINASE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2018017910A1

  公开（公告）日：2018-01-25

  A compound, enantiomer, prodrug, diastereomer, or salt is provided which is an activator of the enzyme glucokinase and thus is believed to be useful in treating diabetes and related diseases, which compound has the structure (I). A method for treating diabetes and related disease employing the compound, enantiomer, prodrug, diastereomer, or salt is also provided.

  提供一种化合物、对映体、前药、二对映体或盐，该化合物是葡萄糖激酶的激活剂，因此被认为在治疗糖尿病及相关疾病方面是有用的，该化合物具有结构（I）。还提供了一种利用该化合物、对映体、前药、二对映体或盐治疗糖尿病及相关疾病的方法。
• [EN] NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS<br/>[FR] NOUVEAUX MODULATEURS DU RÉCEPTEUR TGR5 SOUS FORME D'HÉTÉROARYLES BICYCLIQUES CONTENANT DE L'AZOTE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2012149236A1

  公开（公告）日：2012-11-01

  Novel compounds of Formula I:or an enantiomer, diastereomer, tautomer, prodrug or salt thereof, wherein m, Q, T, U, V, ring A, X, Y, R3, R4, R4a, R5a, R5b, R5c, R5d, R5e, R6a, R6b, and R6c are defined herein, are provided which are TGR5 G protein-coupled receptor modulators. TGR5 G protein-coupled receptor modulators are useful in treating, preventing, or slowing the progression of diseases requiring TGR5 G protein-coupled receptor modulator therapy. Thus, the disclosure also concerns compositions comprising these novel compounds and methods of treating diseases or conditions related to the activity of the TGR5 G protein-coupled receptor by using any of these novel compounds or a composition comprising any of such novel compounds.

  公式I的新化合物：或其对映体、二对映体、互变异构体、前药或盐，其中m、Q、T、U、V、环A、X、Y、R3、R4、R4a、R5a、R5b、R5c、R5d、R5e、R6a、R6b和R6c在此定义，提供了TGR5 G蛋白偶联受体调节剂。TGR5 G蛋白偶联受体调节剂在治疗、预防或减缓需要TGR5 G蛋白偶联受体调节剂治疗的疾病的进展方面是有用的。因此，本公开还涉及包含这些新化合物的组合物以及使用任何这些新化合物或包含任何这类新化合物的组合物治疗与TGR5 G蛋白偶联受体活性相关的疾病或症状的方法。
• PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS
  申请人：Wacker Dean A.

  公开号：US20090023702A1

  公开（公告）日：2009-01-22

  Novel compounds are provided which are GPR119 G protein-coupled receptor modulators. GPR119 G protein-coupled receptor modulators are useful in treating, preventing, or slowing the progression of diseases requiring GPR 119 G protein-coupled receptor modulator therapy. These novel compounds have the structure Formula I or Formula IA.

  提供了一些新的化合物，它们是GPR119 G蛋白偶联受体调节剂。GPR119 G蛋白偶联受体调节剂在治疗、预防或减缓需要GPR 119 G蛋白偶联受体调节剂疗法的疾病方面非常有用。这些新的化合物具有结构式I或结构式IA。
• [EN] PYRIMIDINYLPIPERIDINYLOXYPYRIDONE ANALOGUES AS GPR119 MODULATORS<br/>[FR] ANALOGUES DE PYRIMIDINYLPIPÉRIDINYLOXYPYRIDONE EN TANT QUE MODULATEURS DE GPR119
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2013173198A1

  公开（公告）日：2013-11-21

  Novel compounds of structure Formula I: (I) or an enantiomer, a diastereomer, or a pharmaceutically acceptable salt thereof, wherein R1, R2 and R3 are defined herein, are provided which are GPR119 G protein-coupled receptor modulators. GPR119 G protein-coupled receptor modulators are useful in treating, preventing, or slowing the progression of diseases requiring GPR119 G protein-coupled receptor modulator therapy. Thus, the disclosure also concerns compositions comprising these novel compounds and methods of treating diseases or conditions related to the activity of the GPR119 G protein-coupled receptor by using any of these novel compounds or a composition comprising any of such novel compounds.

  提供具有结构式I的新化合物（I）或其对映体、非对映体异构体或药用可接受盐，其中R1、R2和R3在此处定义，这些化合物是GPR119 G蛋白偶联受体调节剂。GPR119 G蛋白偶联受体调节剂在治疗、预防或减缓需要GPR119 G蛋白偶联受体调节剂治疗的疾病方面具有用途。因此，本公开还涉及包含这些新化合物的组合物和使用任何这些新化合物或包含任何这些新化合物的组合物治疗与GPR119 G蛋白偶联受体活性相关的疾病或病况的方法。
• [EN] PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS<br/>[FR] ANALOGUES DE PYRIDONE ET DE PYRIDAZONE COMME MODULATEURS DE GPR119
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2010009183A1

  公开（公告）日：2010-01-21

  Novel compounds of structure Formula (I) or an enantiomer, a diastereomer, or a pharmaceutically acceptable salt thereof, wherein Z, R1, R2, R21, T1, T2, T3 and T4 are defined herein, are provided which are GPR119 G protein-coupled receptor modulators. GPR119 G protein-coupled receptor modulators are useful in treating, preventing, or slowing the progression of diseases requiring GPR119 G protein-coupled receptor modulator therapy. Thus, the disclosure also concerns compositions comprising these novel compounds and methods of treating diseases or conditions related to the activity of the GPR119 G protein-coupled receptor by using any of these novel compounds or a composition comprising any of such novel compounds.

  提供结构式（I）或其对映体、顺反异构体或药用可接受盐的新化合物，其中Z、R1、R2、R21、T1、T2、T3和T4在此定义，这些化合物是GPR119 G蛋白偶联受体调节剂。 GPR119 G蛋白偶联受体调节剂在治疗、预防或减缓需要GPR119 G蛋白偶联受体调节剂治疗的疾病方面是有用的。因此，该公开还涉及包含这些新化合物的组合物和使用任何这些新化合物或包含任何这种新化合物的组合物治疗与GPR119 G蛋白偶联受体活性相关的疾病或症状的方法。