ATC 0175 free base | ATC0175 free base | CAS 509118-03-0

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HIT ID:HIT212712112
Cas No:509118-03-0
常用名:ATC 0175 free base
别名:ATC0175 free base
IUPAC:3,4-difluoro-N-[(1s,4s)-4-{[4-(dimethylamino)quinazolin-2-yl]amino}cyclohexyl]benzamide
IUPAC:3,4-difluoro-N-[(1s,4s)-4-{[4-(dimethylamino)quinazolin-2-yl]amino}cyclohexyl]benzamide
InChI key:FAIMGWSOSCFGRU-IYBDPMFKSA-N

分子式:C23H25F2N5O
分子量:425.484
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:4.5432234
SMILES:CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |wU:10.13,7.6,(4,2.31,;2.67,1.54,;1.33,2.31,;2.67,,;1.33,-.77,;1.33,-2.31,;,-3.08,;,-4.62,;-1.33,-5.39,;-1.33,-6.93,;,-7.7,;1.33,-6.93,;1.33,-5.39,;,-9.24,;1.33,-10.01,;2.67,-9.24,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;1.33,-14.63,;1.33,-16.17,;,-13.86,;-1.33,-14.63,;,-12.32,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,)|
SMILES:CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |wU:10.13,7.6,(4,2.31,;2.67,1.54,;1.33,2.31,;2.67,,;1.33,-.77,;1.33,-2.31,;,-3.08,;,-4.62,;-1.33,-5.39,;-1.33,-6.93,;,-7.7,;1.33,-6.93,;1.33,-5.39,;,-9.24,;1.33,-10.01,;2.67,-9.24,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;1.33,-14.63,;1.33,-16.17,;,-13.86,;-1.33,-14.63,;,-12.32,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,)|

ATC0175 是一种高效、选择性且具有口服活性的人黑色素浓缩激素 1 受体（melanin-concentrating hormone 1 receptor，MCH1R）拮抗剂，其对 MCH1R 的 IC50 为 13.5 nM，而对 MCH2R 的 IC50 大于 10,000 nM。在动物模型中，ATC0175 表现出抗抑郁和抗焦虑作用，为抑郁症和焦虑障碍研究提供了重要的实验依据。

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