5,6-二甲氧基-2-(二-N-丙氨基)茚满马来酸盐 | 83598-46-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 中文名称: 5,6-二甲氧基-2-(二-N-丙氨基)茚满马来酸盐
• 中文别名: 坎普他汀对照肽
• 英文名称: PNU 99194A
• 英文别名: 5,6-dimethoxy-2-(di-n-propylamino)indan hydrochloride；5,6-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine;hydron;chloride
• CAS: 83598-46-3
• 化学式: C₁₇H₂₇NO₂*ClH
• 分子量: 313.868
• InChiKey: NMBUOXDBNWBGIM-UHFFFAOYSA-N

物化性质

• 溶解度：
  H2O:>5 mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  3.71
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  21.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5,6-二甲氧基-2-(二-N-丙氨基)茚满马来酸盐 在 氢溴酸 作用下， 反应 3.0h， 以66%的产率得到5,6-Dihydroxy-2-(di-n-propylamino)indan hydrobromide
  参考文献：
  名称：

  Conformationally restricted congeners of dopamine derived from 2-aminoindan

  摘要：

  Two series of N-substituted 2-aminoindan systems have been prepared: 4,5-dihydroxy-2-aminoindan (1) has a hydroxylation pattern analogous to the alpha conformer of dopamine, and 5,6-dihydroxy-2-aminoindan (2) has a hydroxylation pattern of the beta conformer of dopamine. All members of both series demonstrated only extremely weak binding to calf caudate homogenate. Certain N-alkylated 4,5-dihydroxyindans were violent emetics in the dog and were potent in blockade of the effect of stimulation of the cardioaccelerator nerve of the cat. In contrast, the 5,6-dihydroxy series displayed low or no activity/potency in these assays. Conformational analysis of the 2-aminoindan system is described and discussed.

  DOI：

  10.1021/jm00354a010

文献信息

• Conformationally restricted congeners of dopamine derived from 2-aminoindan
  作者：Joseph G. Cannon、Julio A. Perez、Ranbir K. Bhatnagar、John Paul Long、Fouad M. Sharabi

  DOI：10.1021/jm00354a010

  日期：1982.12

  Two series of N-substituted 2-aminoindan systems have been prepared: 4,5-dihydroxy-2-aminoindan (1) has a hydroxylation pattern analogous to the alpha conformer of dopamine, and 5,6-dihydroxy-2-aminoindan (2) has a hydroxylation pattern of the beta conformer of dopamine. All members of both series demonstrated only extremely weak binding to calf caudate homogenate. Certain N-alkylated 4,5-dihydroxyindans were violent emetics in the dog and were potent in blockade of the effect of stimulation of the cardioaccelerator nerve of the cat. In contrast, the 5,6-dihydroxy series displayed low or no activity/potency in these assays. Conformational analysis of the 2-aminoindan system is described and discussed.