Name: Linrodostat mesylate
Rating: 5 (10 reviews)

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HIT ID:HIT212711746
Cas No:2221034-29-1
常用名:Linrodostat mesylate
别名:ONO-7701, ONO 7701, BMS-986205, BMS986205, BMS 986205
别名:ONO-7701, ONO 7701, BMS-986205, BMS986205, BMS 986205
IUPAC:(2R)-N-(4-chlorophenyl)-2-[(1s,4S)-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide; methanesulfonic acid
IUPAC:(2R)-N-(4-chlorophenyl)-2-[(1s,4S)-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide; methanesulfonic acid
InChI key:LZNFBNWGSDOVIO-QEFLZESTSA-N

分子式:C25H28ClFN2O4S
分子量:507.02
氢键供体数 (HBD):1
氢键受体数 (HBA):2
LogP:6.3812704
SMILES:CS(O)(=O)=O.C[C@H]([C@H]1CC[C@H](CC1)c1ccnc2ccc(F)cc12)C(=O)Nc1ccc(Cl)cc1 |wU:6.4,7.5,10.12,(11.17,-1.54,;11.17,,;12.71,,;11.17,1.54,;9.63,,;1.89,-3.16,;.55,-2.39,;.55,-.85,;-.78,-.08,;-.78,1.46,;.55,2.23,;1.89,1.46,;1.89,-.08,;.55,3.77,;-.78,4.54,;-.78,6.08,;.55,6.85,;1.89,6.08,;3.22,6.85,;4.55,6.08,;4.55,4.54,;5.89,3.77,;3.22,3.77,;1.89,4.54,;-.78,-3.16,;-2.12,-2.39,;-.78,-4.7,;-2.12,-5.47,;-2.12,-7.01,;-3.45,-7.78,;-4.78,-7.01,;-6.12,-7.78,;-4.78,-5.47,;-3.45,-4.7,)|
SMILES:CS(O)(=O)=O.C[C@H]([C@H]1CC[C@H](CC1)c1ccnc2ccc(F)cc12)C(=O)Nc1ccc(Cl)cc1 |wU:6.4,7.5,10.12,(11.17,-1.54,;11.17,,;12.71,,;11.17,1.54,;9.63,,;1.89,-3.16,;.55,-2.39,;.55,-.85,;-.78,-.08,;-.78,1.46,;.55,2.23,;1.89,1.46,;1.89,-.08,;.55,3.77,;-.78,4.54,;-.78,6.08,;.55,6.85,;1.89,6.08,;3.22,6.85,;4.55,6.08,;4.55,4.54,;5.89,3.77,;3.22,3.77,;1.89,4.54,;-.78,-3.16,;-2.12,-2.39,;-.78,-4.7,;-2.12,-5.47,;-2.12,-7.01,;-3.45,-7.78,;-4.78,-7.01,;-6.12,-7.78,;-4.78,-5.47,;-3.45,-4.7,)|

Linrodostat (BMS-986205, ONO-7701, and F001287) is a selective and orally active IDO1 inhibitor with potential immunomodulating and antineoplastic activities. By inhibiting IDO1 and reducing kynurenine in tumor cells, BMS-986205 restores and promotes the proliferation and activation of various immune cells and causes a reduction in tumor-associated regulatory T cells (Tregs).

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