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BMS-202

CAT: 1410-M12560-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M12560-01Size:5 mg
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Description
BMS-202 is a small molecule inhibitor of the PD-1/PD-L1 interaction with IC50 of 18 nM in a homogenous time-resolved fluorescence binding assay.
CAS Number
1675203-84-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
419.5161
Molecular Formula
C25H29N3O3
Notes
Research use only, not for human use.
Receptor
PD-1/PD-L1

Chemical Information

Bms-202

small molecule inhibitor of PD-L1

CAS Number1675203-84-5
PubChem CID117951478
IUPAC NameN-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide
Molecular FormulaC25H29N3O3
Molecular Weight419.5
XLogP3.6
Topological Polar Surface Area72.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity526
SMILES
CC1=C(C=CC=C1C2=CC=CC=C2)COC3=NC(=C(C=C3)CNCCNC(=O)C)OC
InChI
InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)
InChIKey
JEDPSOYOYVELLZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms-202
CAS: 1675203-84-5
CID: 117951478
Formula: C25H29N3O3
MW: 419.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight419.5
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass419.22089180
Monoisotopic Mass419.22089180
Topological Polar Surface Area72.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity526
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes