TG100713 - ≥97% , CAS No.925705-73-3

CAS: 925705-73-3 Cat. No.: T129620 分子式: C₁₂H₁₀N₆ 分子量: 254.25 PubChem CID: 17751063

GRADE & PURITY ≥97%

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

Room temperature

Shipped In

Normal

概要

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

同義語

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

仕様と純度

≥97%

生化学的・生理学的メカニズム

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.

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• パブケム・シド: 504768635
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504768635
• カノニカル・スマイル: 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)
• 異性体SMILES: C1=CC(=CC(=C1)O)C2=CN=C3C(=N2)C(=NC(=N3)N)N
• PubChem CID: 17751063
• 分子量: 254.25

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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)

Explore this target

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

A549 (127892 Activities)

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

HepG2 (196354 Activities)

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

HeLa (62764 Activities)

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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 分子量: 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

よくある質問

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.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 925705-73-3, the molecular formula is C12H10N6, and the molecular weight is 254.25 g/mol. InChIKey UOORQSPLBHUQDQ-UHFFFAOYSA-N.