tuvusertib - Moligand™ , Inhibitor of ATR serine/threonine kinase, CAS No.1613200-51-3, Inhibitor of ATR serine/threonine kinase

CAS: 1613200-51-3 Cat. No.: T614589 PubChem CID: 90199447

GRADE & PURITY Moligand™

Synonyms

compound I-C-79 [WO2014089379A1]

Storage

Room temperature

Specifications

Synonymes

compound I-C-79 [WO2014089379A1]

Spécifications et pureté

Moligand™

Conditions de stockage de stockage

Room temperature

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Inhibitor of ATR serine/threonine kinase

Noms et identifiants

• Sourires canoniques: CN1C=NC=C1C2=C(C=NC=C2NC(=O)C3=C4N=CC(=CN4N=C3N)F)F
• IUPAC Name: 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• InChIKey: RBQPCTBFIPVIJN-UHFFFAOYSA-N
• INCHI: 1S/C16H12F2N8O/c1-25-7-21-5-11(25)12-9(18)3-20-4-10(12)23-16(27)13-14(19)24-26-6-8(17)2-22-15(13)26/h2-7H,1H3,(H2,19,24)(H,23,27)
• Isomères SMILES: CN1C=NC=C1C2=C(C=NC=C2NC(=O)C3=C4N=CC(=CN4N=C3N)F)F
• PubChem CID: 90199447

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrazolopyrimidines
      • Subclass Pyrazolo[1,5-a]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrazolopyrimidines
• Subclass: Pyrazolo[1,5-a]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolo[1,5-a]pyrimidines
• Alternative Parents: Pyrimidinecarboxamides Pyrazole-4-carboxamides Halopyrimidines Aryl fluorides Pyridines and derivatives Imidolactams N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Primary amines Hydrocarbon derivatives Organic oxides Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrimidinecarboxamide - Pyrazolo[1,5-a]pyrimidine - Pyrazole-4-carboxamide - Halopyrimidine - N-substituted imidazole - Pyridine - Aryl fluoride - Pyrimidine - Imidolactam - Aryl halide - Pyrazole - Imidazole - Vinylogous amide - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a pyrimidine ring.
• 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

Cibles associées (humaines)

ATR Tchem Serine/threonine-protein kinase ATR (0 Activities)

Discover Target: ATR

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

Propriétés chimiques et physiques

• Poids moléculaire: 370.320 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 370.11 Da
• Monoisotopic Mass: 370.11 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 557.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

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

The CAS Number is 1613200-51-3. InChIKey RBQPCTBFIPVIJN-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.