GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

5,7-dibromo-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbaldehyde | AS-16940 | 5,7-dibromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-1-carbaldehyde | GTPL10624 | F90309 | CE-3-F-4; CE 3 F 4; CE-3F4; CE 3F4 | SCHEMBL17070839 | 6-Fluoro-5,7-dibromo-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

application：

CE3F4 has been used as a selective exchange protein directly activated by cAMP isoform 1 (Epac1) inhibitor in cell proliferation assay to study the influence of Epac type I on cell proliferation of C6 cells (a model of glioma).

Specifications

Synonyms

5, 7-dibromo-6-fluoro-2-methyl-3, 4-dihydro-2H-quinoline-1-carbaldehyde | AS-16940 | 5, 7-dibromo-6-fluoro-2-methyl-1, 2, 3, 4-tetrahydroquinoline-1-carbaldehyde | GTPL10624 | F90309 | CE-3-F-4; CE 3 F 4; CE-3F4; CE 3F4 | SCHEMBL17070839 | 6-Fluoro-5, 7-dibromo-

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

Noncompetitive Epac1 inhibitor. Blocks Epac-induced Rap activation and preventsisoprenaline-induced autophagy flux in cardiomyocytes. Has no effect on PKA activity in the presence of cAMP.

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of Rap guanine nucleotide exchange factor 3

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: CC1CCC2=C(C(=C(C=C2N1C=O)Br)F)Br
• IUPAC Name: 5,7-dibromo-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbaldehyde
• InChIKey: ZZLQPWXVZCPUGC-UHFFFAOYSA-N
• 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
• Isomeric SMILES: CC1CCC2=C(C(=C(C=C2N1C=O)Br)F)Br
• Molecular Weight: 351.01
• Reaxy-Rn: 30826898
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30826898&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Hydroquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Hydroquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolines
• Alternative Parents: Benzenoids Aryl fluorides Aryl bromides Tertiary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroquinoline - Aryl bromide - Aryl fluoride - Aryl halide - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organofluoride - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (0 Activities)

Discover Target: RAPGEF3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)

Discover Target: RAPGEF3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 35.1, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 17.55, Max Conc. mM: 50
• Molecular Weight: 351.010 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 350.909 Da
• Monoisotopic Mass: 348.911 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 279.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1