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BMS-332

CAT: 0013-GTR19218040-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218040-02Size:50 mg
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Description
BMS-332 is a potent dual inhibitor of DGKα and DGKζ, with IC50 values of 0.005 μM and 0.001 μM, respectively. It is used in cancer and immunology research, supporting in vitro assays and in vivo studies to investigate diacylglycerol-mediated signaling pathways.
CAS Number
2407892-15-1
Smiles
C (N1[C@H] (C) CN ([C@@H] (C) C1) C=2C=3C (N (C) C (=O) C2) =CC=C (C#N) N3) (C4=CC=C (F) C=C4) C5=CC=C (F) C=C5
Molecular Formula
C29H27F2N5O
Molecular Weight
499.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

8-[(2S,5R)-4-[Bis(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]-5-methyl-6-oxo-5,6-dihydro-1,5-naphthyridine-2-carbonitrile
CAS Number2407892-15-1
PubChem CID146466537
IUPAC Name8-[(2S,5R)-4-[bis(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
Molecular FormulaC29H27F2N5O
Molecular Weight499.6
XLogP4.4
Topological Polar Surface Area63.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity881
SMILES
C[C@@H]1CN([C@H](CN1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C)C4=CC(=O)N(C5=C4N=C(C=C5)C#N)C
InChI
InChI=1S/C29H27F2N5O/c1-18-17-36(29(20-4-8-22(30)9-5-20)21-6-10-23(31)11-7-21)19(2)16-35(18)26-14-27(37)34(3)25-13-12-24(15-32)33-28(25)26/h4-14,18-19,29H,16-17H2,1-3H3/t18-,19+/m0/s1
InChIKey
XKXKEJGUONTNBW-RBUKOAKNSA-N
Chemical Structure
2D Structure
2D structure of 8-[(2S,5R)-4-[Bis(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]-5-methyl-6-oxo-5,6-dihydro-1,5-naphthyridine-2-carbonitrile
CAS: 2407892-15-1
CID: 146466537
Formula: C29H27F2N5O
MW: 499.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight499.6
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass499.21836683
Monoisotopic Mass499.21836683
Topological Polar Surface Area63.5 Ų
Heavy Atom Count37
Formal Charge0
Complexity881
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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