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BMS-37

CAT: 0931-T70286-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T70286-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1675202-20-6
Target
PD-1/PD-L1, Others, Ligands for Target Protein for PROTAC
Related Pathways
Apoptosis, PROTAC, Cell Cycle/Checkpoint, Others, Immunology/Inflammation
Bioactivity
BMS-37 is a novel inhibitor of PD-1/PD-L1 immune checkpoint.
Smiles
C(NCCNC(C)=O)C1=C(OC)C=C(OCC2=C(C)C(=CC=C2)C3=CC=CC=C3)C=C1OC
Molecular Formula
C27H32N2O4
Molecular Weight
448.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(2-((2,6-Dimethoxy-4-((2-methyl-[1,1'-biphenyl]-3-yl)methoxy)benzyl)amino)ethyl)acetamide
CAS Number1675202-20-6
PubChem CID117941658
IUPAC NameN-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]ethyl]acetamide
Molecular FormulaC27H32N2O4
Molecular Weight448.6
XLogP4
Topological Polar Surface Area68.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count33
Formal Charge0
Complexity554
SMILES
CC1=C(C=CC=C1C2=CC=CC=C2)COC3=CC(=C(C(=C3)OC)CNCCNC(=O)C)OC
InChI
InChI=1S/C27H32N2O4/c1-19-22(11-8-12-24(19)21-9-6-5-7-10-21)18-33-23-15-26(31-3)25(27(16-23)32-4)17-28-13-14-29-20(2)30/h5-12,15-16,28H,13-14,17-18H2,1-4H3,(H,29,30)
InChIKey
OYNIISWIMDFFAF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-((2,6-Dimethoxy-4-((2-methyl-[1,1'-biphenyl]-3-yl)methoxy)benzyl)amino)ethyl)acetamide
CAS: 1675202-20-6
CID: 117941658
Formula: C27H32N2O4
MW: 448.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.6
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass448.23620751
Monoisotopic Mass448.23620751
Topological Polar Surface Area68.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity554
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

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