WAY-657541 - ≥98% , CAS No.853339-68-1

CAS: 853339-68-1 Cat. No.: W417896 Formula: C₂₄H₂₄N₄O₂ Peso molecolare: 400.5 PubChem CID: 4790600

GRADE & PURITY ≥98%

Synonyms

N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-(3-pyridinyl)-4-quinazolinamine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

anti-Tuberculosis activity

Specifications

Sinonimi

N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-(3-pyridinyl)-4-quinazolinamine

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Proprietà del prodotto

• ALogP: 2.877
• Conteggio HBD: 1
• Legame rotabile: 5

Nomi e identificatori

• Pubchem Sid: 488195002
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195002
• Sorrisi canonici: CCOC1=C(C=C(C=C1)CN(C)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)OC
• IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine
• InChIKey: GWMHXHLOZRRYMY-UHFFFAOYSA-N
• INCHI: 1S/C24H24N4O2/c1-4-30-21-12-11-17(14-22(21)29-3)16-28(2)24-19-9-5-6-10-20(19)26-23(27-24)18-8-7-13-25-15-18/h5-15H,4,16H2,1-3H3
• Isomeri SMILES: CCOC1=C(C=C(C=C1)CN(C)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)OC
• PubChem CID: 4790600
• Peso molecolare: 400.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpyrimidines
• Alternative Parents: Quinazolinamines Phenoxy compounds Methoxybenzenes Dialkylarylamines Benzylamines Anisoles Aminopyrimidines and derivatives Alkyl aryl ethers Pyridines and derivatives Imidolactams Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridinylpyrimidine - Quinazolinamine - Diazanaphthalene - Quinazoline - Phenoxy compound - Anisole - Benzylamine - Phenol ether - Methoxybenzene - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyridine - Heteroaromatic compound - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond.
• 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)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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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

PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

Discover Target: PIN1

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FEN1 Tchem Flap endonuclease 1 (12055 Activities)

Discover Target: FEN1

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

Discover Target: BAZ2B

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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CGA Tbio Glycoprotein hormones alpha chain (29278 Activities)

Discover Target: CGA

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Obiettivi associati (non umani)

Plasmodium falciparum (966862 Activities)

Explore this target

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

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Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). 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 853339-68-1, the molecular formula is C24H24N4O2, and the molecular weight is 400.5 g/mol. InChIKey GWMHXHLOZRRYMY-UHFFFAOYSA-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.