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CM-546

CAT: 0013-GTR19209625-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209625-03Size:100 mg
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Description
CM-546 is the trans-isomeric form of CM-414, functioning as a dual-target inhibitor of PDE5 and histone deacetylases (HDACs) . This small molecule is utilized in biochemical research to investigate epigenetic regulation and cellular signaling pathways in both in vitro and in vivo experimental models.
CAS Number
1624792-73-9
Smiles
C (CC) C=1C2=C (C (=O) N=C (N2) C3=C (OCC) C=CC (C[C@@H]4C[C@@H] (C (NO) =O) C4) =C3) N (C) N1
Molecular Formula
C23H29N5O4
Molecular Weight
439.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

trans CM-414
CAS Number1624792-73-9
PubChem CID136299192
IUPAC Name3-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]methyl]-N-hydroxycyclobutane-1-carboxamide
Molecular FormulaC23H29N5O4
Molecular Weight439.5
XLogP2.3
Topological Polar Surface Area118
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity725
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)CC4CC(C4)C(=O)NO)OCC)C
InChI
InChI=1S/C23H29N5O4/c1-4-6-17-19-20(28(3)26-17)23(30)25-21(24-19)16-12-13(7-8-18(16)32-5-2)9-14-10-15(11-14)22(29)27-31/h7-8,12,14-15,31H,4-6,9-11H2,1-3H3,(H,27,29)(H,24,25,30)
InChIKey
GTSZATFSVLYIRU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of trans CM-414
CAS: 1624792-73-9
CID: 136299192
Formula: C23H29N5O4
MW: 439.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass439.22195442
Monoisotopic Mass439.22195442
Topological Polar Surface Area118 Ų
Heavy Atom Count32
Formal Charge0
Complexity725
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

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