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BRD9500

CAT: 0931-T60603-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T60603-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1630760-75-6
Target
Others, PDE
Related Pathways
Others, Metabolism
Bioactivity
BRD9500 is an orally active inhibitor of phosphodiesterases 3 (PDE3) with IC 50 s of 10 and 27 nM for PDE3A and PDE3B, respectively. BRD9500 is active in an SK-MEL-3 xenograft model of cancer [1].
Smiles
C[C@@H]1CC(=O)NN=C1c1ccc(N2CCOCC2)c(F)c1
Molecular Formula
C15H18FN3O2
Molecular Weight
291.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 71576771
CAS Number1630760-75-6
PubChem CID71576771
IUPAC Name(4R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
Molecular FormulaC15H18FN3O2
Molecular Weight291.32
XLogP1.3
Topological Polar Surface Area53.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity423
SMILES
C[C@@H]1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCOCC3)F
InChI
InChI=1S/C15H18FN3O2/c1-10-8-14(20)17-18-15(10)11-2-3-13(12(16)9-11)19-4-6-21-7-5-19/h2-3,9-10H,4-8H2,1H3,(H,17,20)/t10-/m1/s1
InChIKey
GJGGSLDXABLZLP-SNVBAGLBSA-N
Chemical Structure
2D Structure
2D structure of CID 71576771
CAS: 1630760-75-6
CID: 71576771
Formula: C15H18FN3O2
MW: 291.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.32
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass291.13830499
Monoisotopic Mass291.13830499
Topological Polar Surface Area53.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity423
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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