TG100713 - 2mM in DMSO , CAS No.925705-73-3

CAS: 925705-73-3 Cat. No.: T426947 Summenformel: C₁₂H₁₀N₆ Molekulargewicht: 254.25 PubChem CID: 17751063

GRADE & PURITY 2mM in DMSO

Synonyms

A902741 | BCP05993 | s2870 | BDBM25082 | JMC504279 Compound 17 | 3-(2,4-DiaMino-6-pteridinyl)-phenol;TG 100713 | TG100713 | tg-100713 | J-510465 | HMS3651N21 | TG 100713 | Phenol, 3-(2,4-diamino-6-pteridinyl)- | AS-56116 | SCHEMBL369049 | UOORQSPLBHUQDQ-U

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

TG100713 is a pan-PI3K inhibitor against PI3Kγ, PI3Kδ, PI3Kα and PI3Kβ with IC50 of 50 nM, 24 nM, 165 nM and 215 nM, respectively
An inhibitor of PI3-kinase

Specifications

Synonyme

A902741 | BCP05993 | s2870 | BDBM25082 | JMC504279 Compound 17 | 3-(2,4-DiaMino-6-pteridinyl)-phenol;TG 100713 | TG100713 | tg-100713 | J-510465 | HMS3651N21 | TG 100713 | Phenol, 3-(2,4-diamino-6-pteridinyl)- | AS-56116 | SCHEMBL369049 | UOORQSPLBHUQDQ-U

Spezifikationen & Reinheit

2mM in DMSO

Biochemische und physiologische Mechanismen

TG 100713 is an inhibitor of PI3-kinase (IC50 values are 24, 50, 165 and 215 nM for PI3Kδ, γ, α and β isoforms respectively). TG 100713 also inhibits endothelial cell proliferation.

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

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

Namen und Kennungen

• Pubchem Sid: 528767389
• Kanonisches Lächeln: C1=CC(=CC(=C1)O)C2=CN=C3C(=N2)C(=NC(=N3)N)N
• IUPAC Name: 3-(2,4-diaminopteridin-6-yl)phenol
• InChIKey: UOORQSPLBHUQDQ-UHFFFAOYSA-N
• INCHI: 1S/C12H10N6O/c13-10-9-11(18-12(14)17-10)15-5-8(16-9)6-2-1-3-7(19)4-6/h1-5,19H,(H4,13,14,15,17,18)
• Isomere SMILES: C1=CC(=CC(=C1)O)C2=CN=C3C(=N2)C(=NC(=N3)N)N
• PubChem CID: 17751063
• Molekulargewicht: 254.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pteridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pteridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pteridines and derivatives
• Alternative Parents: Aminopyrimidines and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyrazines Imidolactams Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Primary amines Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pteridine - Aminopyrimidine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Pyrazine - Heteroaromatic compound - Azacycle - Amine - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine.
• 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)

PIK3CG Tclin PI3-kinase p110-gamma subunit (5411 Activities)

Discover Target: PIK3CG

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

PIK3CB Tchem PI3-kinase p110-beta subunit (4044 Activities)

Discover Target: PIK3CB

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

MCF7 (126967 Activities)

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A549 (127892 Activities)

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HepG2 (196354 Activities)

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HeLa (62764 Activities)

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Zugehörige Ziele (nicht menschlich)

PIK3CA PI3-kinase p110-alpha subunit (51 Activities)

Discover Target: PIK3CA

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 254.250 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 254.092 Da
• Monoisotopic Mass: 254.092 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 317.000
• 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