BMS-1001 is a potent inhibitor of PD-1/PD-L1 interaction with an EC50 value of 253 nM. BMS-1001 attenuated the inhibitory effect of soluble PD-L1 on T cell receptor-mediated T lymphocyte activation.

 

Brand: BCM

 

Target: PD-1/PD-L1

 

Signaling Pathways: Apoptosis; Cell Cycle/Checkpoint; Immunology/Inflammation

 

In Vitro: The small-molecule inhibitors of the PD-1/PD-L1 interaction, BMS-1001 , ?bind to human PD-L1 and block its interaction with PD-1, when tested on isolated proteins.?The compounds present low toxicity towards tested cell lines and block the interaction of soluble PD-L1 with the cell surface-expressed PD-1.?BMS-1001 alleviate the inhibitory effect of the soluble PD-L1 on the T-cell receptor-mediated activation of T-lymphocytes.?Moreover, the compounds were effective in attenuating the inhibitory effect of the cell surface-associated PD-L1.

 

Boiling Point: 801.2±65.0 °C(Predicted)

 

pKa: 2.08±0.10(Predicted)

 

Solubility: Soluble in DMSO. Insoluble in Water; Insoluble in Ethanol.

 

Isomeric SMILES: CC1=CC(=C(C=C1OCC2=C(C(=CC=C2)C3=CC4=C(C=C3)OCCO4)C)OCC5=CC(=CC=C5)C#N)CN[C@H](CO)C(=O)O  

 

InChIKey: UWNXGZKSIKQKAH-SSEXGKCCSA-N  

 

InChI: InChI=1S/C35H34N2O7/c1-22-13-28(18-37-30(19-38)35(39)40)33(43-20-25-6-3-5-24(14-25)17-36)16-32(22)44-21-27-7-4-8-29(23(27)2)26-9-10-31-34(15-26)42-12-11-41-31/h3-10,13-16,30,37-38H,11-12,18-21H2,1-2H3,(H,39,40)/t30-/m1/s1

 

Attribute
[Chem Name]	(2R)-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-5-methylphenyl]methylamino]-3-hydroxypropanoic acid
[Synonym]	BMS-1001
[CAS No.]	2113650-03-4
[MDL No.]	MFCD32709962
[Formula]	C35H34N2O7
[Molecular]	594.65
[Form]	Solid Powder
[Storage]	Sealed in dry. Stored at -20°C.

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