Products for Research Use Only

BMS-502

CAT: 0013-GTR19219909-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219909-05Size:50 mg
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Description
BMS-502 is a potent dual inhibitor of DGKα and DGKζ, enhancing T cell immune responses and blocking intracellular checkpoint signaling in a dose-dependent manner. It is a valuable research tool for studying immune-related diseases in both in vitro and in vivo experimental models.
CAS Number
2407854-18-4
Product Name Alternative
BMS502, DGK
Purity
99.54% (May vary between batches)
Solubility
DMSO:80 mg/mL (154.89 mM)
Smiles
N#CC1=NC2=C (N (C) C (C ([N+] ([O-]) =O) =C2N3CCN (C (C4=CC=C (C=C4) F) C5=CC=C (C=C5) F) CC3) =O) C=C1
Molecular Formula
C27H22F2N6O3
Molecular Weight
516.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

8-(4-(Bis(4-fluorophenyl)methyl)piperazin-1-yl)-5-methyl-7-nitro-6-oxo-5,6-dihydro-1,5-naphthyridine-2-carbonitrile
CAS Number2407854-18-4
PubChem CID146466271
IUPAC Name8-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-5-methyl-7-nitro-6-oxo-1,5-naphthyridine-2-carbonitrile
Molecular FormulaC27H22F2N6O3
Molecular Weight516.5
XLogP3.6
Topological Polar Surface Area109
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count38
Formal Charge0
Complexity949
SMILES
CN1C2=C(C(=C(C1=O)[N+](=O)[O-])N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)N=C(C=C2)C#N
InChI
InChI=1S/C27H22F2N6O3/c1-32-22-11-10-21(16-30)31-23(22)25(26(27(32)36)35(37)38)34-14-12-33(13-15-34)24(17-2-6-19(28)7-3-17)18-4-8-20(29)9-5-18/h2-11,24H,12-15H2,1H3
InChIKey
XAHMIJCNFUSTMT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(4-(Bis(4-fluorophenyl)methyl)piperazin-1-yl)-5-methyl-7-nitro-6-oxo-5,6-dihydro-1,5-naphthyridine-2-carbonitrile
CAS: 2407854-18-4
CID: 146466271
Formula: C27H22F2N6O3
MW: 516.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight516.5
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass516.17214491
Monoisotopic Mass516.17214491
Topological Polar Surface Area109 Ų
Heavy Atom Count38
Formal Charge0
Complexity949
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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