WHI-P258 - ≥98% , CAS No.21561-09-1

CAS: 21561-09-1 Cat. No.: W413500 Summenformel: C₁₆H₁₅N₃O₂ Molekulargewicht: 281.31 PubChem CID: 3798

GRADE & PURITY ≥98%

Synonyms

6,7-dimethoxy-N-phenyl-4-quinazolinamine | DTXSID80274409 | HMS1662N04 | WHI-P 258 | BDBM3530 | Oprea1_506594 | EX-A1237 | 4-Phenylamino-6,7-dimethoxyquinazoline | MFCD01815294 | WAA56109 | SR-02000000179 | 6,7-dimethoxy-N-phenylquinazolin-4-amine | SR-02

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

WHI-P258 is an inhibitor ofJAK3with Ki value of 72 μM.

Targets

JAK3 (Cell-free) 72 μM(Ki)

Specifications

Synonyme

6,7-dimethoxy-N-phenyl-4-quinazolinamine | DTXSID80274409 | HMS1662N04 | WHI-P 258 | BDBM3530 | Oprea1_506594 | EX-A1237 | 4-Phenylamino-6,7-dimethoxyquinazoline | MFCD01815294 | WAA56109 | SR-02000000179 | 6,7-dimethoxy-N-phenylquinazolin-4-amine | SR-02

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

WHI-P258 is an inhibitor of JAK3 with Ki value of 72 μM.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Produkteigenschaften

• ALogP: 3.444
• HBD-Zahl: 1
• Rotationsfähige Bindung: 4

Namen und Kennungen

• Pubchem Sid: 504750713
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750713
• Kanonisches Lächeln: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC=C3)OC
• IUPAC Name: 6,7-dimethoxy-N-phenylquinazolin-4-amine
• InChIKey: MJKCGAHOCZLYDG-UHFFFAOYSA-N
• INCHI: 1S/C16H15N3O2/c1-20-14-8-12-13(9-15(14)21-2)17-10-18-16(12)19-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18,19)
• Isomere SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC=C3)OC
• PubChem CID: 3798
• Molekulargewicht: 281.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazanaphthalenes
      • Subclass Benzodiazines
        • Ebene5 Quinazolines
          • Ebene6 Quinazolinamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinazolines
• Direct Parent: Quinazolinamines
• Alternative Parents: Anisoles Aniline and substituted anilines Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Anisole - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Secondary amine - Ether - Azacycle - Hydrocarbon derivative - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine 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

Zugehörige Ziele (menschlich)

EGFR Tclin Epidermal growth factor receptor (2 Activities)

Discover Target: EGFR

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

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

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

JAK2 Tclin Tyrosine-protein kinase JAK2 (12915 Activities)

Discover Target: JAK2

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

KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

Discover Target: KDR

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

FLT3 Tclin Tyrosine-protein kinase receptor FLT3 (13481 Activities)

Discover Target: FLT3

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

CLK1 Tchem Dual specificty protein kinase CLK1 (2189 Activities)

Discover Target: CLK1

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

HT-29 (80576 Activities)

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

MCF7 (126967 Activities)

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

PC-3 (62116 Activities)

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

RET Tclin Tyrosine-protein kinase receptor RET (6732 Activities)

Discover Target: RET

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

MV4-11 (7307 Activities)

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

CDK5 Tchem Cyclin-dependent kinase 5/CDK5 activator 1 (3697 Activities)

Discover Target: CDK5

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

GSK3A Tclin Glycogen synthase kinase-3 (736 Activities)

Discover Target: GSK3A

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

Zugehörige Ziele (nicht menschlich)

Dyrk1a Dual specificity tyrosine-phosphorylation-regulated kinase 1A (1629 Activities)

Discover Target: Dyrk1a

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 14 mg/mL (49.76 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO (mg/ml) Maximale Löslichkeit: 14
• DMSO (mM) Maximale Löslichkeit: 49.7671607834773
• Wasser (mg/ml) Maximale Löslichkeit: ＜1
• Molekulargewicht: 281.310 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 281.116 Da
• Monoisotopic Mass: 281.116 Da
• Topological Polar Surface Area: 56.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 323.000
• 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

Häufig gestellte Fragen

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 21561-09-1, the molecular formula is C16H15N3O2, and the molecular weight is 281.31 g/mol. InChIKey MJKCGAHOCZLYDG-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.