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CE3F4

CAT: 0804-HY-108539-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-108539-01Size:5 mg
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Description
CE3F4 is a selective antagonist of exchange protein directly activated by cAMP (Epac1), with IC50s of 10.7 μM and 66 μM for Epac1 and Epac2 (B), respectively.
CAS Number
143703-25-7
UNSPSC
12352005
Hazard Statement
H302, H411
Target
Ras
Type
Reference compound
Related Pathways
GPCR/G Protein; MAPK/ERK Pathway
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/CE3F4.html
Purity
98.85
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=CN1C(C)CCC2=C1C=C(Br)C(F)=C2Br
Molecular Formula
C11H10Br2FNO
Molecular Weight
351.01
Precautions
H302, H411
References & Citations
[1]Courilleau D, et al. The (R) -enantiomer of CE3F4 is a preferential inhibitor of human exchange protein directly activated by cyclic AMP isoform 1 (Epac1) . Biochem Biophys Res Commun. 2013 Oct 25;440 (3) :443-8.|[2]Courilleau D, et al. Identification of a tetrahydroquinoline analog as a pharmacological inhibitor of the cAMP-binding protein Epac. J Biol Chem. 2012 Dec 28;287 (53) :44192-202.|[3]Pratt EP, et al. Ca2+ influx through L-type Ca2+ channels and Ca2+-induced Ca2+ release regulate cAMP accumulation and Epac1-dependent ERK 1/2 activation in INS-1 cells. Mol Cell Endocrinol. 2016 Jan 5;419:60-71.|[4]Prajapati R, et al. Usefulness of Exchanged Protein Directly Activated by cAMP (Epac) 1-Inhibiting Therapy for Prevention of Atrial and Ventricular Arrhythmias in Mice. Circ J. 2019;83 (2) :295-303.|[5]Abstract 17548: Inhibition of Exchange Protein 1 Directly Activated by cAMP (Epac1) is Cardioprotective Against Ischemia-reperfusion Injury
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

6-Fluoro-5,7-dibromo-2-methyl-1-formyl-1,2,3,4-tetrahydroquinoline

an Epac1 inhibitor; structure in first source

CAS Number143703-25-7
PubChem CID21781066
IUPAC Name5,7-dibromo-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbaldehyde
Molecular FormulaC11H10Br2FNO
Molecular Weight351.01
XLogP3.6
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity279
SMILES
CC1CCC2=C(C(=C(C=C2N1C=O)Br)F)Br
InChI
InChI=1S/C11H10Br2FNO/c1-6-2-3-7-9(15(6)5-16)4-8(12)11(14)10(7)13/h4-6H,2-3H2,1H3
InChIKey
ZZLQPWXVZCPUGC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Fluoro-5,7-dibromo-2-methyl-1-formyl-1,2,3,4-tetrahydroquinoline
CAS: 143703-25-7
CID: 21781066
Formula: C11H10Br2FNO
MW: 351.01
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.01
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass350.90927
Monoisotopic Mass348.91132
Topological Polar Surface Area20.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity279
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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