AZ Dyrk1B 33 - ≥98%(HPLC) , CAS No.1679330-37-0

CAS: 1679330-37-0 Cat. No.: A287637 Formula: C₁₉H₁₆N₄ Peso molecolare: 300.36

GRADE & PURITY ≥98%(HPLC)

Synonyms

3-(2-Methyl-4-pyrimidinyl)-1-(phenylmethyl)-1H-pyrrolo[2,3-c]pyridine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

3-(2-Methyl-4-pyrimidinyl)-1-(phenylmethyl)-1H-pyrrolo[2,3-c]pyridine

Specifiche e purezza

≥98%(HPLC)

Meccanismi biochimici e fisiologici

Potent and selective ATP-competitive Dyrk1B kinase inhibitor (IC50= 7 nM); displays distinct cellular effects when compared to DYRK1B knockdown through siRNA. Demonstrates cellularin vitroactivity (IC50= 194 nM). Exhibits better selectivity than AZ 191; d

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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Tipo di azione

INHIBITOR

Purezza

≥98%(HPLC)

Nomi e identificatori

Pubchem Sid

528758109

Sorrisi canonici

CC1=NC=CC(=N1)C2=CN(C3=C2C=CN=C3)CC4=CC=CC=C4

IUPAC Name

1-benzyl-3-(2-methylpyrimidin-4-yl)pyrrolo[2,3-c]pyridine

InChIKey

CZCUSHJQJWKYTD-UHFFFAOYSA-N

INCHI

1S/C19H16N4/c1-14-21-10-8-18(22-14)17-13-23(12-15-5-3-2-4-6-15)19-11-20-9-7-16(17)19/h2-11,13H,12H2,1H3

Isomeri SMILES

CC1=NC=CC(=N1)C2=CN(C3=C2C=CN=C3)CC4=CC=CC=C4

Peso molecolare

300.36

Reaxy-Rn

27974014

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27974014&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrrolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrrolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolopyridines
• Alternative Parents: Substituted pyrroles Pyrimidines and pyrimidine derivatives Pyridines and derivatives Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - Benzenoid - Substituted pyrrole - Pyrimidine - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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)

DYRK1B Tchem Dual specificity tyrosine-phosphorylation-regulated kinase 1B (1 Activities)

Discover Target: DYRK1B

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

IGF1R Tclin Insulin-like growth factor I receptor (8605 Activities)

Discover Target: IGF1R

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

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

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

A-375 (9258 Activities)

Explore this target

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

Obiettivi associati (non umani)

Schistosoma mansoni (6170 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:1eq. HCl, Max Conc. mg/mL: 30.04, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 30.04, Max Conc. mM: 100
• Peso molecolare: 300.400 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 300.137 Da
• Monoisotopic Mass: 300.137 Da
• Topological Polar Surface Area: 43.600 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 382.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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