(R)-CE3F4 - ≥98% (HPLC) , CAS No.1593478-56-8

CAS: 1593478-56-8 Cat. No.: R287208 Formula: C₁₁H₁₀Br₂FNO Peso molecolare: 351.01

GRADE & PURITY ≥98%(HPLC)

Synonyms

(2R)-5,7-Dibromo-6-fluoro-3,4-diidro-2-metil-1(2H)-chinolinecarbossaldeide

Storage

Conservare a -20°C

Shipped In

Cassetta del ghiaccio + cuscini per il ghiaccio

Specifications

Sinonimi

(2R)-5,7-Dibromo-6-fluoro-3,4-diidro-2-metil-1(2H)-chinolinecarbossaldeide

Specifiche e purezza

≥98% (HPLC)

Meccanismi biochimici e fisiologici

Inibitore di Epac (i valori IC50 sono 4,2 e 44 μM per Epac1 ed Epac2(B), rispettivamente). Blocca l'attivazione di Epac da parte del cAMP. È l'enantiomeroR di CE3F4.

Condizioni di conservazione di stoccaggio

Conservare a -20°C

Spedito in

Cassetta del ghiaccio + cuscini per il ghiaccio

Tipo di azione

INHIBITOR

Purezza

≥98%(HPLC)

Nomi e identificatori

Sorrisi canonici

CC1CCC2=C(C(=C(C=C2N1C=O)Br)F)Br

IUPAC Name

(2R)-5,7-dibromo-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbaldehyde

InChIKey

ZZLQPWXVZCPUGC-ZCFIWIBFSA-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/t6-/m1/s1

Isomeri SMILES

C[C@@H]1CCC2=C(C(=C(C=C2N1C=O)Br)F)Br

Peso molecolare

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
    • Classe Quinolines and derivatives
      • Subclass Hydroquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

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

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:DMSO, Max Conc. mg/mL: 35.1, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 17.55, Max Conc. mM: 50
• Peso molecolare: 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: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1593478-56-8, the molecular formula is C??H??Br?FNO, and the molecular weight is 351.01 g/mol. InChIKey ZZLQPWXVZCPUGC-ZCFIWIBFSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.