n-propanol,ethyl acetate | 123553-05-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: n-propanol,ethyl acetate
• 英文别名: 3-Hydroxypentyl acetate
• CAS: 123553-05-9
• 化学式: C₇H₁₄O₃
• 分子量: 146.186
• InChiKey: JMAHTRMRVSPPCM-UHFFFAOYSA-N

物化性质

• 沸点：
  166.3±13.0 °C(Predicted)
• 密度：
  1.005±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  n-propanol,ethyl acetate 在 potassium carbonate 、 三乙胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 methanesulfonic acid 3-(2-benzoyl-4-ethyl-phenoxy)-pentyl ester
  参考文献：
  名称：

  Design and Synthesis of Dual Peroxisome Proliferator-Activated Receptors γ and δ Agonists as Novel Euglycemic Agents with a Reduced Weight Gain Profile

  摘要：

  The design and synthesis of the dual peroxisome proliferator-activated receptor ( PPAR) gamma/delta agonist (R)-3-{4-[3-(4-chloro-2-phenoxyphenoxy)-butoxy]-2-ethyl-phenyl}-propionic acid (20) for the treatment of type 2 diabetes and associated dyslipidemia is described. The compound possesses a potent dual hPPAR gamma/delta agonist profile (IC50 = 19 nM/4 nM; EC50 = 102 nM/6 nM for hPPAR gamma and hPPAR delta, respectively). In preclinical models, the compound improves insulin sensitivity and reverses diabetic hyperglycemia with less weight gain at a given level of glucose control relative to rosiglitazone.

  DOI：

  10.1021/jm060617c
• 作为产物：
  描述：

  戊烷-1,3-二醇 、 乙酸酐 以 二氯甲烷 为溶剂， 生成 n-propanol,ethyl acetate
  参考文献：
  名称：

  Design and Synthesis of Dual Peroxisome Proliferator-Activated Receptors γ and δ Agonists as Novel Euglycemic Agents with a Reduced Weight Gain Profile

  摘要：

  The design and synthesis of the dual peroxisome proliferator-activated receptor ( PPAR) gamma/delta agonist (R)-3-{4-[3-(4-chloro-2-phenoxyphenoxy)-butoxy]-2-ethyl-phenyl}-propionic acid (20) for the treatment of type 2 diabetes and associated dyslipidemia is described. The compound possesses a potent dual hPPAR gamma/delta agonist profile (IC50 = 19 nM/4 nM; EC50 = 102 nM/6 nM for hPPAR gamma and hPPAR delta, respectively). In preclinical models, the compound improves insulin sensitivity and reverses diabetic hyperglycemia with less weight gain at a given level of glucose control relative to rosiglitazone.

  DOI：

  10.1021/jm060617c

文献信息

• BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1422228A1

  公开（公告）日：2004-05-26

  The present invention provides a novel benzazepine derivative represented by formula : wherein, R1 is a 5- or 6-membered aromatic ring, R2 is lower alkyl group, etc., Y is an optionally substituted imino group, ring A and ring B are independently an optionally substituted aromatic ring, W is formula -W1-X2-W2- (W1 and W2 are independently S(O)m1 (m1 is 0, 1 or 2), etc., and X2 is an optionally substituted alkylene groupetc. ), a preparation method and use thereof.

  本发明提供了一种新型的苯并氮杂环衍生物，其由以下公式表示： 其中，R1是一个5-或6-成员的芳香环，R2是低级烷基团等，Y是可选地取代的亚氨基，环A和环B是独立地选自一个可选地取代的芳香环，W是公式-W1-X2-W2-（W1和W2是独立地为S(O)m1（m1是0、1或2）等，X2是一个可选地取代的亚烷基团等），其制备方法及其用途。
• [EN] NOVEL PROCESS FOR QUATERNIZATION OF (2P,3A,5A,16P,17P)-2,16-BISPIPERIDINO-3,17-DIACETOXY-5-ANDROSTANE<br/>[FR] NOUVEAU PROCÉDÉ DE QUATERNISATION DE (2?,3?,5?,16?,17?)-2, 16-BISPIPÉRIDINO-3,17-DIACÉTOXY-5-ANDROSTANE
  申请人：NEON LAB LTD

  公开号：WO2012147090A1

  公开（公告）日：2012-11-01

  The invention discloses a novel process for quaternization of (2β,3α,5α,16β,17β)-2,16-bispiperidino-3,17-diacetoxy-5-androstane with methyl bromide in presence of a cyclic ether. The invention further discloses purification of quaternary salt to provide highly pure vecuronium bromide with unspecified impurity level not more than 0.1%.

  该发明揭示了一种新的过程，用于在存在环氧乙醚的情况下，将（2β,3α,5α,16β,17β）-2,16-双哌啶基-3,17-二乙酰氧基-5-雄烷基与溴化甲基进行季铵化。该发明还揭示了通过纯化季铵盐来提供高纯度的维库溴化物，其未指定杂质水平不超过0.1%。
• ACRYLAMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1593673A1

  公开（公告）日：2005-11-09

  A compound represented by the formula: wherein R1 is a 5- or 6-membered ring; R3 is a hydrogen atom, a lower alkyl group or a lower alkoxy group; R7 and R8 are each a hydrogen atom or a lower alkyl group; Z1 is another 5- or 6-membered aromatic ring; Z2 is a group represented by -Z2a-W1-Z2b- [wherein Z2a and Z2b are each O, S(O)m (wherein m is 0, 1 or 2), an imino group or a bond, and W1 is an alkylene chain]; X is CR (wherein R is a hydrogen atom, a lower alkyl group, a lower alkoxy group, an acyl group, or R and adjacent R4 may form a 5- or 6-membered alicyclic heterocyclic group) or N; R4 is NR5R6 (wherein R5 and R6 are each a hydrogen atom, a hydrocarbon group, a heterocyclic group or an acyl group), or R5 and R6 are bonded to each other to form a heterocyclic group of NR5R6; and R2 is (1) an amino group which may be a quaternary ammonium or oxide, (2) a nitrogen-containing heterocyclic group which may contain a sulfur atom or an oxygen atom as the ring-constituting atom, in which the nitrogen atom may be converted to a quaternary ammonium or an oxide, or the like; or a salt thereof. The compound has excellent CCR5 antagonistic activity and thus is useful as a prophylactic and/or therapeutic medicine for HIV infection into human peripheral blood monocyte, especially for AIDS.

  一种化合物，其化学式表示为：其中R1是一个5-或6-成员环；R3是氢原子、较低的烷基或较低的烷氧基；R7和R8分别是氢原子或较低的烷基；Z1是另一个5-或6-成员芳香环；Z2是一个由-Z2a-W1-Z2b-表示的基团[其中Z2a和Z2b分别是O、S(O)m（其中m为0、1或2）、亚胺基或键，W1是一个烷基链]；X是CR（其中R是氢原子、较低的烷基、较低的烷氧基、酰基，或R和相邻的R4可能形成5-或6-成员脂环杂环基）或N；R4是NR5R6（其中R5和R6分别是氢原子、烃基、杂环基或酰基），或R5和R6相互连接形成NR5R6的杂环基；R2是（1）可能是季铵盐或氧化物的氨基团，（2）可能包含硫原子或氧原子作为构成环的原子的含氮杂环基，其中氮原子可以转化为季铵盐或氧化物，或类似物；或其盐。该化合物具有出色的CCR5拮抗活性，因此可用作预防和/或治疗HIV感染进入人类外周血单核细胞，特别是艾滋病的药物。
• Heterocyclic compound and use thereof
  申请人：Takanobu Kuroita

  公开号：US20100137587A1

  公开（公告）日：2010-06-03

  Compounds represented by the formulas wherein each symbol is as defined in the specification, and a prodrug thereof have a superior renin inhibitory activity, and are useful as agents for the prophylaxis or treatment of hypertension, various organ damages attributable to hypertension and the like.

  由以下公式表示的化合物，其中每个符号如规范中定义，并且其前药具有优越的肾素抑制活性，可用作预防或治疗高血压、高血压引起的各种器官损伤等药物。
• BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF
  申请人：TOBIRA THERAPEUTICS, INC.

  公开号：US20160008326A1

  公开（公告）日：2016-01-14

  The present invention provides a new cyclic compound having a CCR antagonist activity, especially a CCR5 antagonist activity, and the use thereof. The compound of the present invention is represented by the formula: wherein, R 1 is a 5- to 6-membered ring group which may be substituted; X 1 is a bond or the like; ring A is a 5- to 6-membered ring group which may be substituted; ring B is a 8- to 10-membered ring group which may be substituted; X 2 is a bivalent group of 1 to 4 atom; Z 1 is a bivalent cyclic ring group or the like; Z 2 is a bond or the like; and R 2 is an amino group, a nitrogen-containing heterocyclic group which may be substituted or the like, or a salt thereof.

  本发明提供了一种具有CCR拮抗活性的新环化合物，特别是CCR5拮抗活性，以及其用途。本发明的化合物由以下公式表示：其中，R1是一个可能被取代的5至6成员环基团；X1是键或类似物；环A是一个可能被取代的5至6成员环基团；环B是一个可能被取代的8至10成员环基团；X2是1至4原子的二价基团；Z1是二价环状基团或类似物；Z2是键或类似物；R2是氨基、可能被取代的含氮杂环基团或类似物，或其盐。