5-(Acetylamino)-2-ethyl-1-indanone | 98709-83-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 5-(Acetylamino)-2-ethyl-1-indanone
• 英文别名: N-(2-ethyl-1-oxo-2,3-dihydroinden-5-yl)acetamide
• CAS: 98709-83-2
• 化学式: C₁₃H₁₅NO₂
• 分子量: 217.268
• InChiKey: UOXNCSKHPNUBRL-UHFFFAOYSA-N

物化性质

• 沸点：
  428.8±34.0 °C(Predicted)
• 密度：
  1.170±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-(Acetylamino)-2-ethyl-1-indanone 在 四氢吡咯 、 甲醇 、 dipotassium peroxodisulfate 、 N-氯代丁二酰亚胺 、 N-溴代丁二酰亚胺(NBS) 、 二苯并-18-冠醚-6 、 tetrakis(triphenylphosphine)palladium dichloride 、 sodium methylate 、 potassium acetate 、 nitrosonium tetrafluoroborate 、 溶剂黄146 、 三苯基膦 、 lithium chloride 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 、 乙腈 为溶剂， 生成 (R)-6-chloro-9a-ethyl-9,9a-dihydroindeno[2,1-e]indazole-7,10(3H,8H)-dione
  参考文献：
  名称：

  Estrogen receptor β-subtype selective tetrahydrofluorenones: Use of a fused pyrazole as a phenol bioisostere

  摘要：

  Synthesis of a series of fused pyrazole tetrahydrofluorenone analogs which are potent, ERP subtype selective ligands is described. Analogs possessing subnanomolar ERP binding, greater than 100-fold ER beta-selectivity, and oral bioavailability are reported. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.05.036
• 作为产物：
  描述：

  N1-(1-氧-2,3-二氢-1H-茚-5-基)乙酰胺 、 乙醛 在 palladium on activated charcoal 氢氧化钾 、 氢气 作用下， 以 乙醇 为溶剂， 生成 5-(Acetylamino)-2-ethyl-1-indanone
  参考文献：
  名称：

  Estrogen receptor β-subtype selective tetrahydrofluorenones: Use of a fused pyrazole as a phenol bioisostere

  摘要：

  Synthesis of a series of fused pyrazole tetrahydrofluorenone analogs which are potent, ERP subtype selective ligands is described. Analogs possessing subnanomolar ERP binding, greater than 100-fold ER beta-selectivity, and oral bioavailability are reported. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.05.036

文献信息

• Selective estrogen receptor modulators
  申请人：——

  公开号：US20040210080A1

  公开（公告）日：2004-10-21

  The present invention relates to compounds and derivatives thereof, their synthesis, and their use as estrogen receptor modulators. The compounds of the instant invention are ligands for estrogen receptors and as such may be useful for treatment or prevention of a variety of conditions related to estrogen functioning including: bone loss, bone fractures, osteoporosis, metastatic bone disease, Paget s disease, periodontal disease, cartilage degeneration, endometriosis, uterine fibroid disease, hot flashes, increased levels of LDL cholesterol, cardiovascular disease, impairment of cognitive functioning, cerebral degenerative disorders, restenosis, gynecomastia, vascular smooth muscle cell proliferation, obesity, incontinence, and cancer, in particular of the breast, uterus and prostate.

  本发明涉及化合物及其衍生物、它们的合成以及它们作为雌激素受体调节剂的用途。本发明的化合物是雌激素受体的配体，因此可能对与雌激素功能相关的各种疾病的治疗或预防有用，包括：骨质流失、骨折、骨质疏松症、转移性骨病、帕吉特病、牙周病、软骨退化、子宫内膜异位症、子宫肌瘤、潮热、低密度脂蛋白胆固醇水平升高、心血管疾病、认知功能障碍、脑退行性疾病、再狭窄、男性乳房发育、血管平滑肌细胞增殖、肥胖、失禁以及乳腺、子宫和前列腺癌，特别是乳腺、子宫和前列腺癌的治疗。
• Thiadiazinone compounds, process for their preparation, and pharmaceutical compositions containing them
  申请人：SMITH KLINE & FRENCH LABORATORIES LIMITED

  公开号：EP0145236A2

  公开（公告）日：1985-06-19

  Compounds of the formula (I):- and salts thereof, wherein R' is hydrogen, C1-6 alkyl, halo, cyano, nitro, amino, a group -NHCOR4, a group -COR5, or a group -NHC(NCN)NHR6; wherein R4 is hydrogen, C1-6 alkoxy, C1-6alkyl optionally substituted by phenyl, or R4 is a group NR7R8 wherein R7 and R8 are independently hydrogen, C1-6salkyl or benzyl; R5 is hydroxy, hydrogen, C1-6alkyl, C1-6alkoxy, or a group -NR7R8; and R6 is hydrogen or C1-6alkyl; R2 is hydrogen or C1-4alkyl; R3 is hydrogen or C1-4alkyl; and n is one, and when R3 is hydrogen n can also be two. Processes and intermediates for their preparation are described. Pharmaceutical compositions containing them are described, as is their use as inotropic agents.

  式(I)化合物 及其盐类，其中 R'是氢、C1-6烷基、卤代、氰基、硝基、氨基、基团-NHCOR4、基团-COR5 或基团-NHC(NCN)NHR6；其中 R4 是氢、C1-6烷氧基、任选被苯基取代的 C1-6 烷基，或 R4 是基团 NR7R8，其中 R7 和 R8 独立地是氢、C1-6烷基或苄基；R5是羟基、氢、C1-6烷基、C1-6烷氧基或基团-NR7R8；R6是氢或C1-6烷基；R2是氢或C1-4烷基；R3是氢或C1-4烷基；n是1，当R3是氢时，n也可以是2。 介绍了制备它们的工艺和中间体。描述了含有它们的药物组合物，以及它们作为肌张力剂的用途。
• Triazolo-tetrahydrofluorenones as selective estrogen receptor beta agonists
  作者：Dann L. Parker、Dongfang Meng、Ronald W. Ratcliffe、Robert R. Wilkening、Donald M. Sperbeck、Mark L. Greenlee、Lawrence F. Colwell、Sherrie Lambert、Elizabeth T. Birzin、Katalin Frisch、Susan P. Rohrer、Stefan Nilsson、Ann-Gerd Thorsell、Milton L. Hammond

  DOI：10.1016/j.bmcl.2006.05.103

  日期：2006.9

  Several tetrahydrofluorenones with a triazole fused across C7-C8 showed high levels of ER beta-selectivity and were found to be potent ER beta-agonists. As a class they demonstrate improved oral bioavailability in the rat over a parent class of 7-hydroxy-tetrahydrolluorenones. The most selective agonist displayed 5.7 nM affinity and 333-fold selectivity for ER beta. (c) 2006 Elsevier Ltd. All rights reserved.
• ESTROGEN RECEPTOR MODULATORS
  申请人：Merck & Co., Inc.

  公开号：EP1339683A2

  公开（公告）日：2003-09-03
• EP1339683A4
  申请人：——

  公开号：EP1339683A4

  公开（公告）日：2005-07-27