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HIT220913561
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HIT220913561
  • HIT ID:HIT220913561
  • Cas No:2209073-52-7
  • 常用名:4-Me-PDTic HCl
  • IUPAC:(3R)-7-hydroxy-N-[(2R)-3-methyl-1-(4-methylpiperidin-1-yl)butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide dihydrochloride
    IUPAC:(3R)-7-hydroxy-N-[(2R)-3-methyl-1-(4-methylpiperidin-1-yl)butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide dihydrochloride
  • InChI key:InChIKey=UDTZTCZUETYIOL-AAYDIPMQSA-N
  • 分子式:C21H35Cl2N3O2
  • 分子量:432.43
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:Cl.Cl.CC(C)[C@H](CN1CCC(C)CC1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
    SMILES:Cl.Cl.CC(C)[C@H](CN1CCC(C)CC1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
  • 4-Me-PDTic is a potent and selective Kappa Opioid Receptor Antagonist. 4-Me-PDTic had a Ke = 0.37 nM in a [35S]GTPγS binding assay and was 645- and >8100-fold selective for the κ relative to the μ and δ opioid receptors, respectively. Calculated logBB and CNS (central nervous system) multiparameter optimization (MPO) and low molecular weight values all predict that 4-Me-PDTic will penetrate the brain and pharmacokinetic studies in rats shows that 4-Me-PDTic does indeed penetrate the brain.
市场产品/服务共显示1个结果
  • 供应商
    TargetMolSC
    规格
    货期
    6-8周
    纯度
    -
    ¥ 11,700.00
    1

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