3-(aminooxy)-N,N-dimethylpropan-1-amine | 54197-52-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-(aminooxy)-N,N-dimethylpropan-1-amine
• 英文别名: O-(3-N,N-dimethylaminopropyl)hydroxylamine；O-[3-(dimethylamino)-propyl]-hydroxylamine；O-[3-(dimethylamino)propyl]hydroxylamine
• CAS: 54197-52-3
• 化学式: C₅H₁₄N₂O
• 分子量: 118.179
• InChiKey: CCSGLLUTWAFKJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  8
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-isopropoxy-5-(3-(1-oxo-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)benzonitrile 、 3-(aminooxy)-N,N-dimethylpropan-1-amine 在 sodium acetate 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 48.0h， 以25%的产率得到(Z)-4-(5-(3-((Ι2-azaneylidene)-Ι3-methyl)-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-one O-(3-(dimethylamino)propyl) oxime
  参考文献：
  名称：

  [EN] SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS
  [FR] MODULATEURS DU RÉCEPTEUR DE LA SPHINGOSINE-1-PHOSPHATE

  摘要：

  提供具有Formula (I)结构的化合物：(Formula (I))或其药用可接受的盐、同系物、水合物或溶剂合物，其中R的定义如本文所述。这些化合物作为鞘氨醇-1-磷酸受体的调节剂，并且对于治疗需要医学指示下激活该受体的不良状况具有用途。

  公开号：

  WO2021195396A1

文献信息

• Cyclic Urea Derivatives As Androgen Receptor Antagonists
  申请人：Bock Mark Gary

  公开号：US20140329858A1

  公开（公告）日：2014-11-06

  The present invention is directed to compounds of formula (I) wherein R 1 , R 2 , R 3 , and A are defined herein. The present invention also provides for pharmaceutical compositions comprising a compound of formula (I) as well as to the use of such compounds as androgen receptor antagonists for the treatment of diseases and conditions mediated by the androgen receptor, such as prostate cancer.

  本发明涉及式(I)化合物，其中R1、R2、R3和A的定义如本文所述。本发明还提供了包含式(I)化合物的药物组合物，并将这些化合物用作雄激素受体拮抗剂，用于治疗由雄激素受体介导的疾病和病况，例如前列腺癌。
• Synthèse et activité anti-bactérienne d'acides dihydro-4,7 éthyl-7 oxo-4 thiéno[2,3-b]pyridine carboxyliques-5 II
  作者：J Bompart

  DOI：10.1016/0223-5234(88)90143-2

  日期：1988.10
• Synthesis and Inotropic Activity of 1-(<i>O</i>-Aminoalkyloximes) of Perhydroindene Derivatives as Simplified Digitalis-like Compounds Acting on the Na⁺,K⁺-ATPase
  作者：Alberto Cerri、Nicoletta Almirante、Paolo Barassi、Alessandra Benicchio、Sergio De Munari、Giuseppe Marazzi、Isabella Molinari、Fulvio Serra、Piero Melloni

  DOI：10.1021/jm011001k

  日期：2002.1.1

  A series of 5-substituted (3aS,7aR)-7a-methylperhydroinden-3a-ol derivatives bearing a 1(S)(omega-aminoalkoxy)iminoalkyl or -alkenyl substituent was synthesized, starting from the Hajos-Parrish ketol 47, as simplified analogues of very potent 17beta-aminoalkyloximes with digitalis skeleton, previously reported. The target compounds were evaluated in vitro for displacement of the specific [H-3]ouabain binding from the dog kidney Na+,K+-ATPase receptor. Some of them revealed IC50 values in the micromolar range. The most active compounds possess a cyclohexyl group in the 5(S) position and in position 1(S) the same aminoalkyloxime groups already reported for the digitoxigenin-like series in position 17beta. Although the ring conformation of these derivatives was comparable to that of uzarigenin, the binding affinities of the most active ones were 4/8-fold lower in comparison to that standard, Three compounds among those with the highest affinities were assayed in vitro for their inotropic activity on an electrically driven guinea pig left atrium and were found to be less potent than both digoxin, the most widely used inotropic agent, and the corresponding digitalis 17beta-aminoalkyloximes.
• BOMPART, JACQUES;GIRAL, LOUIS;MALICORNE, GILLES;PUYGRENIER, MARC, EUR. J. MED. CHEM., 23,(1988) N 5, C. 457-464
  作者：BOMPART, JACQUES、GIRAL, LOUIS、MALICORNE, GILLES、PUYGRENIER, MARC

  DOI：——

  日期：——
• [EN] SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS<br/>[FR] MODULATEURS DU RÉCEPTEUR DE LA SPHINGOSINE-1-PHOSPHATE
  申请人：RECEPTOS LLC

  公开号：WO2021195396A1

  公开（公告）日：2021-09-30

  Compounds are provided having the structure of Formula (I): (Formula (I)) or a pharmaceutically acceptable salt, homolog, hydrate or solvate thereof, wherein R is as defined herein. Such compounds serve as modulators of the sphingosine-1-phosphate receptor, and have utility for treatment of a malcondition for which activation of this receptor is medically indicated.

  提供具有Formula (I)结构的化合物：(Formula (I))或其药用可接受的盐、同系物、水合物或溶剂合物，其中R的定义如本文所述。这些化合物作为鞘氨醇-1-磷酸受体的调节剂，并且对于治疗需要医学指示下激活该受体的不良状况具有用途。