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BMS-1233

CAT: 0013-GTR19236470-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236470-02Size:50 mg
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Description
BMS-1233 is a potent, orally bioavailable small molecule PD-L1 inhibitor (IC50 = 14.5 nM) . It demonstrates in vitro activity by inducing HepG2 cell death in co-culture with Jurkat T cells and shows in vivo efficacy in mouse melanoma models, supporting its use in immuno-oncology research.
CAS Number
2447065-99-6
Field of Research
Cell Biology, Immunology & Inflammation
Smiles
N#CC1=CC=CC (=C1) COC2=CC (OCC3=CC=CC (C=4C=CC=CC4) =C3C) =C (Cl) C=C2CN5CCCCC5C (=O) O
Molecular Formula
C35H33ClN2O4
Molecular Weight
581.1
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-[[5-Chloro-2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]piperidine-2-carboxylic acid
CAS Number2447065-99-6
PubChem CID172420035
IUPAC Name1-[[5-chloro-2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]piperidine-2-carboxylic acid
Molecular FormulaC35H33ClN2O4
Molecular Weight581.1
XLogP5.2
Topological Polar Surface Area82.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity903
SMILES
CC1=C(C=CC=C1C2=CC=CC=C2)COC3=C(C=C(C(=C3)OCC4=CC(=CC=C4)C#N)CN5CCCCC5C(=O)O)Cl
InChI
InChI=1S/C35H33ClN2O4/c1-24-28(13-8-14-30(24)27-11-3-2-4-12-27)23-42-34-19-33(41-22-26-10-7-9-25(17-26)20-37)29(18-31(34)36)21-38-16-6-5-15-32(38)35(39)40/h2-4,7-14,17-19,32H,5-6,15-16,21-23H2,1H3,(H,39,40)
InChIKey
TZOWKIMGKWZTKR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[[5-Chloro-2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]piperidine-2-carboxylic acid
CAS: 2447065-99-6
CID: 172420035
Formula: C35H33ClN2O4
MW: 581.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight581.1
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass580.2128852
Monoisotopic Mass580.2128852
Topological Polar Surface Area82.8 Ų
Heavy Atom Count42
Formal Charge0
Complexity903
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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