Name: Navafenterol saccharinate
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212714944
Cas No:1648550-37-1
常用名:Navafenterol saccharinate
别名:糖精那瓦特罗, LAS-191351 saccharinate, LAS191351 saccharinate, AZD-8871 saccharinate, AZD8871 saccharinate
别名:糖精那瓦特罗, LAS-191351 saccharinate, LAS191351 saccharinate, AZD-8871 saccharinate, AZD8871 saccharinate
IUPAC:(1r,4r)-4-({3-[5-({[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl]amino}methyl)-1H-1,2,3-benzotriazol-1-yl]propyl}(methyl)amino)cyclohexyl 2-hydroxy-2,2-bis(thiophen-2-yl)acetate; 2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
IUPAC:(1r,4r)-4-({3-[5-({[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl]amino}methyl)-1H-1,2,3-benzotriazol-1-yl]propyl}(methyl)amino)cyclohexyl 2-hydroxy-2,2-bis(thiophen-2-yl)acetate; 2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
InChI key:WXFYZNXSBYPTSS-KYWULLABSA-N

分子式:C45H47N7O9S3
分子量:926.09
氢键供体数 (HBD):5
氢键受体数 (HBA):9
LogP:3.3687716
SMILES:O=C1NS(=O)(=O)c2ccccc12.CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc12)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |wU:26.27,46.54,wD:43.47,(16.41,-2.87,;16.88,-1.41,;15.98,-.16,;16.88,1.08,;15.55,1.85,;17.51,2.49,;18.35,.61,;19.68,1.38,;21.01,.61,;21.01,-.93,;19.68,-1.7,;18.35,-.93,;-1.71,-.4,;-3.22,-.72,;-4.25,.43,;-3.77,1.89,;-4.8,3.03,;-4.33,4.5,;-5.23,5.75,;-4.33,6.99,;-2.86,6.52,;-1.53,7.29,;-.19,6.52,;1.14,7.29,;2.47,6.52,;3.81,7.29,;5.14,6.52,;5.14,4.98,;6.47,7.29,;6.47,8.83,;7.81,9.6,;9.14,8.83,;10.47,9.6,;9.14,7.29,;10.47,6.52,;10.47,4.98,;11.81,4.21,;9.14,4.21,;7.81,4.98,;7.81,6.52,;-.19,4.98,;-1.53,4.21,;-2.86,4.98,;-3.69,-2.18,;-5.2,-2.5,;-5.68,-3.97,;-4.65,-5.11,;-3.14,-4.79,;-2.66,-3.33,;-5.12,-6.58,;-4.09,-7.72,;-2.58,-7.4,;-4.57,-9.19,;-6.03,-8.71,;-5.04,-10.65,;-4.14,-11.9,;-5.04,-13.14,;-6.51,-12.67,;-6.51,-11.13,;-3.1,-9.66,;-1.86,-8.76,;-.61,-9.66,;-1.09,-11.13,;-2.63,-11.13,)|
SMILES:O=C1NS(=O)(=O)c2ccccc12.CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc12)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |wU:26.27,46.54,wD:43.47,(16.41,-2.87,;16.88,-1.41,;15.98,-.16,;16.88,1.08,;15.55,1.85,;17.51,2.49,;18.35,.61,;19.68,1.38,;21.01,.61,;21.01,-.93,;19.68,-1.7,;18.35,-.93,;-1.71,-.4,;-3.22,-.72,;-4.25,.43,;-3.77,1.89,;-4.8,3.03,;-4.33,4.5,;-5.23,5.75,;-4.33,6.99,;-2.86,6.52,;-1.53,7.29,;-.19,6.52,;1.14,7.29,;2.47,6.52,;3.81,7.29,;5.14,6.52,;5.14,4.98,;6.47,7.29,;6.47,8.83,;7.81,9.6,;9.14,8.83,;10.47,9.6,;9.14,7.29,;10.47,6.52,;10.47,4.98,;11.81,4.21,;9.14,4.21,;7.81,4.98,;7.81,6.52,;-.19,4.98,;-1.53,4.21,;-2.86,4.98,;-3.69,-2.18,;-5.2,-2.5,;-5.68,-3.97,;-4.65,-5.11,;-3.14,-4.79,;-2.66,-3.33,;-5.12,-6.58,;-4.09,-7.72,;-2.58,-7.4,;-4.57,-9.19,;-6.03,-8.71,;-5.04,-10.65,;-4.14,-11.9,;-5.04,-13.14,;-6.51,-12.67,;-6.51,-11.13,;-3.1,-9.66,;-1.86,-8.76,;-.61,-9.66,;-1.09,-11.13,;-2.63,-11.13,)|

Navafenterol saccharinate (AZD-887 saccharinate) 是一种吸入给药的双重作用分子，兼具高效、选择性且持久的 M3 受体拮抗和 β2 受体激动活性。其对人 M3 受体的 pIC50 为 9.5，对 β2 肾上腺素能受体的 pEC50 亦为 9.5。Navafenterol 可提供持续的支气管保护和抑制唾液分泌作用，并具有良好的心血管安全性，是慢性阻塞性肺疾病研究中的重要候选研究化合物。

市场产品/服务共显示1个结果

供应商
TargetMolSC
规格
货期
1-3天
纯度
-
¥ 1,980.00
1

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