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R59949

CAT: 0957-E0082-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E0082-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
R59949, a diacylglycerol kinase (DGK) inhibitor with an IC50 of 300 nM, inhibits inducible nitric oxide production through decreasing transplasmalemmal L-arginine uptake in vascular smooth muscle cells. R59949 strongly inhibits type I DGK a and γ, and moderately attenuates type II DGK θ and κ.
CAS Number
120166-69-0
Target
Others
Activity
Others
Molecular Formula
C28H25F2N3OS
Storage Conditions
3 years -20°C powder

Chemical Information

Diacylglycerol Kinase Inhibitor Ii

3-[2-[4-[bis(4-fluorophenyl)methylidene]-1-piperidinyl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one is a diarylmethane.

CAS Number120166-69-0
PubChem CID657356
IUPAC Name3-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one
Molecular FormulaC28H25F2N3OS
Molecular Weight489.6
XLogP5.6
Topological Polar Surface Area67.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity770
SMILES
C1CN(CCC1=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CCN4C(=O)C5=CC=CC=C5NC4=S
InChI
InChI=1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35)
InChIKey
ZCNBZFRECRPCKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diacylglycerol Kinase Inhibitor Ii
CAS: 120166-69-0
CID: 657356
Formula: C28H25F2N3OS
MW: 489.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight489.6
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass489.16863993
Monoisotopic Mass489.16863993
Topological Polar Surface Area67.7 Ų
Heavy Atom Count35
Formal Charge0
Complexity770
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

Alternative Products

CatalogName
BUP12319-01R59949

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