RG-13022 - ≥98% , CAS No.136831-48-6

CAS: 136831-48-6 Cat. No.: R337829 Molecular Weight: 266.3 PubChem CID: 5353927

GRADE & PURITY ≥98%

Synonyms

3-(3,4-Dimethoxyphenyl)-2-(pyridin-3-yl)acrylonitrile

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

RG-13022 is a Tyrosine kinase tyrphostin. Reports indicate that RG-13022 suppresses epidermal growth factor (EGF)-stimulated cancer cell proliferation in cancer cell studies. Additionally, RG-13022 has been described to inhibit EGF, platelet-dervied growth (PDGF) signaling, and PDGF enhanced DNA synthesis. RG-13022 is an inhibitor of EGFR and PDGFR.

Specifications

Synonyms

3-(3, 4-Dimethoxyphenyl)-2-(pyridin-3-yl)acrylonitrile

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Product Properties

• pKa: pKₐ: 3.74

Names and Identifiers

• Pubchem Sid: 488195390
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195390
• Canonical Smiles: 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-
• Isomeric SMILES: COC1=C(C=C(C=C1)/C=C(/C#N)\C2=CN=CC=C2)OC
• WGK Germany: 3
• PubChem CID: 5353927
• Molecular Weight: 266.3

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

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

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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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: 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).
• Sensitivity: Heat sensitive
• Refractive Index: n20D1.61
• Melt Point(°C): 114-115° C
• Molecular Weight: 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