Products for Research Use Only
RegisterLogin

EMD57439

CAT: 0013-GTR19215579-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19215579-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
EMD57439 is a selective phosphodiesterase III (PDE3) inhibitor. Its mechanism does not involve significantly elevating cAMP levels or altering myofilament calcium sensitivity (Ca50) . This profile makes it a useful research tool for investigating PDE3-specific signaling pathways in cardiovascular and smooth muscle studies, both in vitro and in vivo.
CAS Number
148714-88-9
Product Name Alternative
EMD 57439, EMD57439, EMD-57439, PDE3
Field of Research
Metabolism Research
Purity
98.52% (May vary between batches)
Solubility
DMSO:22.5 mg/mL (52.88 mM)
Smiles
O=C (C1=CC (OC) =C (C=C1) OC) N2C3=CC=C (C ([C@@H] (S4) C) =NNC4=O) C=C3CCC2
Molecular Formula
C22H23N3O4S
Molecular Weight
425.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 15681557
CAS Number148714-88-9
PubChem CID15681557
IUPAC Name(6S)-5-[1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
Molecular FormulaC22H23N3O4S
Molecular Weight425.5
XLogP3.8
Topological Polar Surface Area106
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity687
SMILES
C[C@H]1C(=NNC(=O)S1)C2=CC3=C(C=C2)N(CCC3)C(=O)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C22H23N3O4S/c1-13-20(23-24-22(27)30-13)15-6-8-17-14(11-15)5-4-10-25(17)21(26)16-7-9-18(28-2)19(12-16)29-3/h6-9,11-13H,4-5,10H2,1-3H3,(H,24,27)/t13-/m0/s1
InChIKey
IZLRMTJLQCLMKF-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of CID 15681557
CAS: 148714-88-9
CID: 15681557
Formula: C22H23N3O4S
MW: 425.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.5
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass425.14092740
Monoisotopic Mass425.14092740
Topological Polar Surface Area106 Ų
Heavy Atom Count30
Formal Charge0
Complexity687
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

Related Products

CatalogName
GTR19199263-01EMD57033

Alternative Products

CatalogName
T25373-01EMD57439

Popular Products