(4,5-dihydro-1H-benzo[g]indazol-3-ylmethyl)-(N-tert-butyloxycarbonyl)-methylamine | 169155-60-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (4,5-dihydro-1H-benzo[g]indazol-3-ylmethyl)-(N-tert-butyloxycarbonyl)-methylamine
• 英文别名: tert-butyl N-(4,5-dihydro-2H-benzo[g]indazol-3-ylmethyl)-N-methylcarbamate
• CAS: 169155-60-6
• 化学式: C₁₈H₂₃N₃O₂
• 分子量: 313.4
• InChiKey: VDJGFOHUCZMTGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  58.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4,5-dihydro-1H-benzo[g]indazol-3-ylmethyl)-(N-tert-butyloxycarbonyl)-methylamine 在 盐酸 、 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 甲醇 、 乙酸乙酯 为溶剂， 反应 3.0h， 生成 (4,5-dihydro-1H-benzo[g]indazol-3-ylmethyl)-dimethylamine
  参考文献：
  名称：

  Substituted pyrazoles as novel selective ligands for the human dopamine D 4 receptor

  摘要：

  Two novel series of 3-(heterocyclylmethyl)pyrazoles have been synthesised and evaluated as ligands for the human dopamine D-4 receptor. Compounds in series I (exemplified by 8k) have a phenyl ring joined to the 4-position of the pyrazole while those in series II (exemplified by 15j) have a 5-phenyl ring linked by a saturated chain to the 4-position of the pyrazole. Both series supplied compounds with excellent affinity for the human D-4 and good selectivity over other dopamine receptors. Excellent selectivity over calcium, sodium, and potassium ion channels was also achieved. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00134-5
• 作为产物：
  描述：

  叔丁氧羰酰基肌氨酸 在 一水合肼 、 N,N'-羰基二咪唑 、 lithium diisopropyl amide 作用下， 以 甲醇 为溶剂， 反应 0.75h， 生成 (4,5-dihydro-1H-benzo[g]indazol-3-ylmethyl)-(N-tert-butyloxycarbonyl)-methylamine
  参考文献：
  名称：

  Substituted pyrazoles as novel selective ligands for the human dopamine D 4 receptor

  摘要：

  Two novel series of 3-(heterocyclylmethyl)pyrazoles have been synthesised and evaluated as ligands for the human dopamine D-4 receptor. Compounds in series I (exemplified by 8k) have a phenyl ring joined to the 4-position of the pyrazole while those in series II (exemplified by 15j) have a 5-phenyl ring linked by a saturated chain to the 4-position of the pyrazole. Both series supplied compounds with excellent affinity for the human D-4 and good selectivity over other dopamine receptors. Excellent selectivity over calcium, sodium, and potassium ion channels was also achieved. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00134-5

文献信息

• Fused tricyclic heteroaromatic derivatives as dopamine receptor subtype
  申请人：Merck, Sharp & Dohme, Ltd.

  公开号：US05686480A1

  公开（公告）日：1997-11-11

  A class of fused tricyclic heteroaromatic compounds of formula (I), or a salt thereof or a prodrug thereof containing a fused pyrazole ring are ligands for dopamine receptor subtypes within the body and are therefore of use in the treatment and/or prevention of disorders of the dopamine system, such as schizophrenia.

  一类融合的三环杂芳化合物，化学式为（I），或其盐或前药，其中包含一个融合的吡唑环，是体内多巴胺受体亚型的配体，因此可用于治疗和/或预防多巴胺系统紊乱，如精神分裂症。
• FUSED TRICYCLIC HETEROAROMATIC DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS
  申请人：MERCK SHARP & DOHME LTD.

  公开号：EP0717733B1

  公开（公告）日：1997-12-03
• US5686480A
  申请人：——

  公开号：US5686480A

  公开（公告）日：1997-11-11
• Substituted pyrazoles as novel selective ligands for the human dopamine D 4 receptor
  作者：Sylvie Bourrain、Ian Collins、Joseph G. Neduvelil、Michael Rowley、Paul D. Leeson、Smita Patel、Shil Patel、Frances Emms、Rosemarie Marwood、Kerry L. Chapman、Alan E. Fletcher、Graham A. Showell

  DOI：10.1016/s0968-0896(98)00134-5

  日期：1998.10

  Two novel series of 3-(heterocyclylmethyl)pyrazoles have been synthesised and evaluated as ligands for the human dopamine D-4 receptor. Compounds in series I (exemplified by 8k) have a phenyl ring joined to the 4-position of the pyrazole while those in series II (exemplified by 15j) have a 5-phenyl ring linked by a saturated chain to the 4-position of the pyrazole. Both series supplied compounds with excellent affinity for the human D-4 and good selectivity over other dopamine receptors. Excellent selectivity over calcium, sodium, and potassium ion channels was also achieved. (C) 1998 Elsevier Science Ltd. All rights reserved.