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BMS-242

CAT: 1410-M12561-01Size: 1 EachDry Ice: NoHazardous: No
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Description
A potent PD-1/PD-L1 interaction inhibitor with IC50 of 6-100 nM in a homogenous time-resolved fluorescence binding assay.
CAS Number
1675204-51-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
449.591
Molecular Formula
C28H35NO4
Notes
Research use only, not for human use.
Receptor
PD-1/PD-L1

Chemical Information

CID 117941821
CAS Number1675204-51-9
PubChem CID117941821
IUPAC Name(2R)-2-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-3-methylbutan-1-ol
Molecular FormulaC28H35NO4
Molecular Weight449.6
XLogP5.4
Topological Polar Surface Area60
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count33
Formal Charge0
Complexity524
SMILES
CC1=C(C=CC=C1C2=CC=CC=C2)COC3=CC(=C(C(=C3)OC)CN[C@@H](CO)C(C)C)OC
InChI
InChI=1S/C28H35NO4/c1-19(2)26(17-30)29-16-25-27(31-4)14-23(15-28(25)32-5)33-18-22-12-9-13-24(20(22)3)21-10-7-6-8-11-21/h6-15,19,26,29-30H,16-18H2,1-5H3/t26-/m0/s1
InChIKey
MWIRGLMFWXSACP-SANMLTNESA-N
Chemical Structure
2D Structure
2D structure of CID 117941821
CAS: 1675204-51-9
CID: 117941821
Formula: C28H35NO4
MW: 449.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.6
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass449.25660860
Monoisotopic Mass449.25660860
Topological Polar Surface Area60 Ų
Heavy Atom Count33
Formal Charge0
Complexity524
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-120646BMS-242
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226863-APCCA 242 (CA-242) (APC) discontinued
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