7β-[N-(t-Butoxycarbonyl)aminoacetoxy]-8,13-epoxy-1α,6β,9α-trihydroxylabd-14-en-11-one | 105559-75-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 7β-[N-(t-Butoxycarbonyl)aminoacetoxy]-8,13-epoxy-1α,6β,9α-trihydroxylabd-14-en-11-one
• 英文别名: 7β[N-(t-Butoxycarbonyl)aminoacetoxy]-8,13-epoxy-1α,6β,9α-trihydroxylabd-14-en-11-one；[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
• CAS: 105559-75-9
• 化学式: C₂₇H₄₃NO₉
• 分子量: 525.64
• InChiKey: YREXXHOZQBBSPB-DXADZBHCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  152
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  7-desacetylforskolin 1,9-dimethylformamide acetal 以75%的产率得到
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Cardiovascular effects of new water-soluble derivatives of forskolin
  作者：Y. Khandelwal、K. Rajeshwari、R. Rajagopalan、Lakshmi Swamy、A. N. Dohadwalla、N. J. De Souza、R. H. Rupp

  DOI：10.1021/jm00118a002

  日期：1988.10

  A series of 6- and 7-aminoacyl derivatives of 7-deacetylforskolin was prepared to provide water-soluble derivatives of the potent cardioactive diterpenoid forskolin. The compounds were evaluated for positive inotropic and blood pressure lowering properties in pharmacological models. Several derivatives displayed potent positive inotropic activity in guinea pig atria (EC50 = 0.16-3.0 micrograms/mL). In the most active compounds, the amino moiety of the aminoacyl chain corresponded to a cyclic amine, and the acyl moiety to a C2-C4 alkanoyl group. In vivo biological evaluation led to the selection of 6-(piperidinoacetyl)-7-deacetylforskolin hydrochloride (49) as a candidate for clinical development.
• Labdan-derivatives, a process for their preparation and their use as medicaments
  申请人：HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED

  公开号：EP0193132B1

  公开（公告）日：1991-04-17
• KOSLEY, RAYMOND W. (JR);CHERILL, ROBERT J.
  作者：KOSLEY, RAYMOND W. (JR)、CHERILL, ROBERT J.

  DOI：——

  日期：——
• ——
  作者：KOSLEY R. W., JR.、 CHERILL R. J.

  DOI：——

  日期：——
• KHANDELWAL, Y.;RAJESHWARI, K.;RAJAGOPALAN, R.;SWAMY, LAKSHMI;DOHADWALLA, +, J. MED. CHEM., 31,(1988) N 10, C. 1872-1879
  作者：KHANDELWAL, Y.、RAJESHWARI, K.、RAJAGOPALAN, R.、SWAMY, LAKSHMI、DOHADWALLA, +

  DOI：——

  日期：——