1-benzoyl-3-phenyl-1,4,5,6-tetrahydro-pyridazine | 109809-47-4

• 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: 1-benzoyl-3-phenyl-1,4,5,6-tetrahydro-pyridazine
• 英文别名: 1-Benzoyl-3-phenyl-1,4,5,6-tetrahydro-pyridazin；Phenyl-(3-phenyl-5,6-dihydro-4H-pyridazin-1-yl)-methanone；phenyl-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone
• CAS: 109809-47-4
• 化学式: C₁₇H₁₆N₂O
• 分子量: 264.327
• InChiKey: BKLSOMLMQKYOSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-benzoyl-3-phenyl-1,4,5,6-tetrahydro-pyridazine 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以64%的产率得到1-benzyl-3-phenyl-1,4,5,6-tetrahydropyridazine
  参考文献：
  名称：

  [4 + 2] Cycloaddition of in Situ Generated 1,2-Diaza-1,3-dienes with Simple Olefins: Facile Approaches to Tetrahydropyridazines

  摘要：

  A catalyst-free [4 + 2] annulation process between in situ generated 1,2-diaza-1,3-butadienes and simple olefins has been developed. Under mild conditions, the reactions afforded 1,4,5,6-tetrahydropyridazines, which feature a wide range of bioactive compounds, with high yields (up to 99% yield).

  DOI：

  10.1021/acs.orglett.5b00445
• 作为产物：
  描述：

  3-苯丙烯溴酸酯 在 lithium aluminium tetrahydride 、 肼 作用下， 以 四氢呋喃 、 乙醇 、 甲苯 为溶剂， 生成 1-benzoyl-3-phenyl-1,4,5,6-tetrahydro-pyridazine
  参考文献：
  名称：

  非甾体孕酮受体配体。1. 3-芳基-1-苯甲酰基-1,4,5,6-四氢哒嗪。

  摘要：

  DOI：

  10.1021/jm00025a003

文献信息

• Nonsteroidal Progesterone Receptor Ligands. 2. High-Affinity Ligands with Selectivity for Bone Cell Progesterone Receptors
  作者：Donald W. Combs、Kimberly Reese、Lyndon A. M. Cornelius、Joseph W. Gunnet、Ellen V. Cryan、Kay S. Granger、Jerold J. Jordan、Keith T. Demarest

  DOI：10.1021/jm00025a004

  日期：1995.12

  A novel series of nonsteroidal heterocycles was discovered which display cell-type selective, high-affinity (nanomolar) binding to the progesterone receptors from TE85 osteosarcoma cells but > 1 microM binding affinity to the progesterone receptors from T47D and ZR75 human breast carcinoma cells. Structure-activity relationships were developed for a set of these compounds, and a representative analog

  发现了一系列新的非甾体杂环化合物，它们显示与TE85骨肉瘤细胞的孕激素受体的细胞类型选择性，高亲和力（纳摩尔）结合，但与T47D和ZR75人乳腺癌细胞的孕激素受体的结合亲和力> 1 microM。建立了一组化合物的结构活性关系，并选择了具有代表性的类似物1-（3,4-二氯苯甲酰基）-3-苯基-1,4,5,6-四氢哒嗪++ +（1i，RWJ 25333）进一步评估。RWJ 25333刺激人成骨细胞样细胞的体外增殖，但不刺激人乳腺细胞的体外增殖。
• DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR
  申请人：Prins Johannes Bernhard

  公开号：US20120059047A1

  公开（公告）日：2012-03-08

  The present invention is directed to methods and agents for modulating the differentiation potential and/or proliferation of preadipocytes. More particularly, the present invention discloses methods and agents for modulating a fibroblast growth factor (FGF) signaling pathway, especially the FGF-1 or FGF-2 signaling pathway, for treating or preventing adiposity-related conditions including, but not limited to, obesity, lipoma, lipomatosis, cachexia or lipodystrophy or the loss of adipose tissue in trauma or atrophic conditions.
• US7544684B2
  申请人：——

  公开号：US7544684B2

  公开（公告）日：2009-06-09
• Nonsteroidal progesterone receptor ligands. 1. 3-Aryl-1-benzoyl-1,4,5,6- tetrahydropyridazines.
  作者：Donald W. Combs、Kimberly Reese、Audrey Phillips

  DOI：10.1021/jm00025a003

  日期：1995.12
• [4 + 2] Cycloaddition of in Situ Generated 1,2-Diaza-1,3-dienes with Simple Olefins: Facile Approaches to Tetrahydropyridazines
  作者：Xingren Zhong、Jian Lv、Sanzhong Luo

  DOI：10.1021/acs.orglett.5b00445

  日期：2015.3.20

  A catalyst-free [4 + 2] annulation process between in situ generated 1,2-diaza-1,3-butadienes and simple olefins has been developed. Under mild conditions, the reactions afforded 1,4,5,6-tetrahydropyridazines, which feature a wide range of bioactive compounds, with high yields (up to 99% yield).