RG-13022 - ≥98% , CAS No.136831-48-6

CAS: 136831-48-6 Cat. No.: R337829 Peso molecular: 266.3 PubChem CID: 5353927

GRADE & PURITY ≥98%

Synonyms

3-(3,4-Dimetoxifenil)-2-(piridin-3-il)acrilonitrilo

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

El RG-13022 es una tirosina cinasa tirosfostina. Los informes indican que el RG-13022 suprime la proliferación de células cancerosas estimulada por el factor de crecimiento epidérmico (EGF) en estudios con células cancerosas. Además, se ha descrito que el RG-13022 inhibe el EGF, la señalización del crecimiento derivado de las plaquetas (PDGF) y la síntesis de ADN potenciada por el PDGF. RG-13022 es un inhibidor de EGFR y PDGFR.

Specifications

Sinónimos

3-(3, 4-Dimetoxifenil)-2-(piridin-3-il)acrilonitrilo

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Pureza

≥98%

Propiedades del producto

• pKa: pKₐ: 3.74

Nombres e identificadores

• Pubchem Sid: 488195390
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195390
• Sonrisas canónicas: COC1=C(C=C(C=C1)C=C(C#N)C2=CN=CC=C2)OC
• IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-2-pyridin-3-ylprop-2-enenitrile
• InChIKey: DBGZNJVTHYFQJI-ZSOIEALJSA-N
• INCHI: 1S/C16H14N2O2/c1-19-15-6-5-12(9-16(15)20-2)8-14(10-17)13-4-3-7-18-11-13/h3-9,11H,1-2H3/b14-8-
• Isómeros SMILES: COC1=C(C=C(C=C1)/C=C(/C#N)\C2=CN=CC=C2)OC
• WGK Alemania: 3
• PubChem CID: 5353927
• Peso molecular: 266.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Anisoles Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dimethoxybenzene - O-dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Ether - Carbonitrile - Nitrile - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organooxygen compound - Cyanide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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

Objetivos asociados (humanos)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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

HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)

Discover Target: HIF1A

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

SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

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

RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)

Discover Target: RECQL

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

Discover Target: MBNL1

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

microRNA 21 (64692 Activities)

Explore this target

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

Discover Target: TARDBP

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

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

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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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in ethanol (25 mg/mL), DMSO (25 mg/mL), DMF (~10 mg/mL), and 1:2 DMSO:PBS (pH 7.2) (~0.3 mg/mL).
• Sensibilidad: Heat sensitive
• Índice de refracción: n20D1.61
• Punto de fusión (°C): 114-115° C
• Peso molecular: 266.290 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 266.106 Da
• Monoisotopic Mass: 266.106 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 385.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1