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DNS-8254

CAT: 0931-T27195-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T27195-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1821107-98-5
Target
Others, PDE
Related Pathways
Others, Metabolism
Bioactivity
DNS-8254 is a potent and selective Phosphodiesterase 2 (PDE2) inhibitor for the treatment of Memory Disorders (hPDE2a IC50 = 8 nM, Rat Cl-int = 25.6 uL/min/mg) . DNS-8254 demonstrated significant memory enhancing effects in a rat model of novel object recognition.
Smiles
CC=1C=C(N2C(N1)=NC=N2)[C@@H]3CN(C(=O)C4=CC(Br)=C(F)C=C4)CC(F)(F)C3
Molecular Formula
C18H15BrF3N5O
Molecular Weight
454.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 118479645
CAS Number1821107-98-5
PubChem CID118479645
IUPAC Name(3-bromo-4-fluorophenyl)-[(5S)-3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
Molecular FormulaC18H15BrF3N5O
Molecular Weight454.2
XLogP3.3
Topological Polar Surface Area63.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity600
SMILES
CC1=NC2=NC=NN2C(=C1)[C@H]3CC(CN(C3)C(=O)C4=CC(=C(C=C4)F)Br)(F)F
InChI
InChI=1S/C18H15BrF3N5O/c1-10-4-15(27-17(25-10)23-9-24-27)12-6-18(21,22)8-26(7-12)16(28)11-2-3-14(20)13(19)5-11/h2-5,9,12H,6-8H2,1H3/t12-/m0/s1
InChIKey
TTWAYHJJEHLVNR-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of CID 118479645
CAS: 1821107-98-5
CID: 118479645
Formula: C18H15BrF3N5O
MW: 454.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.2
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass453.04121
Monoisotopic Mass453.04121
Topological Polar Surface Area63.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity600
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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