API-1 - ≥96%(HPLC) , CAS No.36707-00-3

CAS: 36707-00-3 Cat. No.: A287100 Formule: C₁₃H₁₅N₅O₆ Poids moléculaire: 337.29 Numéro CE: 110-123-2

GRADE & PURITY ≥96%(HPLC)

Synonyms

W3UEK36Q7X | HY-110077 | AS-16467 | NSC177223 | NSC-177223 | EX-A4827 | 4-Amino-5,6,7,8-tetrahydro-5-oxo-8-(beta-D-ribofuranosyl)pyrido[2,3-d]pyrimidine-6-carboxamide | Pyrido(2,3-d)pyrimidine-6-carboxamide, 4-amino-5,8-dihydro-5-oxo-8-beta-D-ribofuranosy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

W3UEK36Q7X | HY-110077 | AS-16467 | NSC177223 | NSC-177223 | EX-A4827 | 4-Amino-5,6,7,8-tetrahydro-5-oxo-8-(beta-D-ribofuranosyl)pyrido[2,3-d]pyrimidine-6-carboxamide | Pyrido(2,3-d)pyrimidine-6-carboxamide, 4-amino-5,8-dihydro-5-oxo-8-beta-D-ribofuranosy

Spécifications et pureté

≥96%(HPLC)

Mécanismes biochimiques et physiologiques

Akt/protein kinase B (PKB) inhibitor. Binds the pleckstrin homology domain of Akt and blocks Akt membrane translocation. Inhibits EGF-induced kinase activity of Akt1, Akt2 and Akt3. Induces cell growth arrest and apoptosis in human cancer cells expressing

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥96%(HPLC)

Noms et identifiants

• Sourires canoniques: C1=C(C(=O)C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C(=O)N
• IUPAC Name: 4-amino-8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
• InChIKey: SPBWHPXCWJLQRU-FITJORAGSA-N
• INCHI: 1S/C13H15N5O6/c14-10-6-7(20)4(11(15)23)1-18(12(6)17-3-16-10)13-9(22)8(21)5(2-19)24-13/h1,3,5,8-9,13,19,21-22H,2H2,(H2,15,23)(H2,14,16,17)/t5-,8-,9-,13-/m1/s1
• Isomères SMILES: C1=C(C(=O)C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N
• Poids moléculaire: 337.29
• Reaxy-Rn: 25376001
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25376001&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Glycosylamines

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Glycosylamines
• Alternative Parents: Pyrido[2,3-d]pyrimidines Pentoses Pyrimidinecarboxamides Pyridinecarboxylic acids and derivatives Aminopyrimidines and derivatives Primary aromatic amines Imidolactams Vinylogous amides Heteroaromatic compounds Oxolanes Amino acids and derivatives Secondary alcohols Primary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-glycosyl compound - Pyrido[2,3-d]pyrimidine - Pentose monosaccharide - Pyridopyrimidine - Pyridine carboxylic acid or derivatives - Pyrimidinecarboxamide - Aminopyrimidine - Monosaccharide - Primary aromatic amine - Pyridine - Pyrimidine - Imidolactam - Vinylogous amide - Oxolane - Heteroaromatic compound - Secondary alcohol - Carboxamide group - Primary carboxylic acid amide - Amino acid or derivatives - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Primary amine - Primary alcohol - Organic oxide - Organonitrogen compound - Alcohol - Organopnictogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as glycosylamines. These are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether).
• 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 (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 33.73, Max Conc. mM: 100
• Poids moléculaire: 337.290 g/mol
• XLogP3: -1.900
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 337.102 Da
• Monoisotopic Mass: 337.102 Da
• Topological Polar Surface Area: 185.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 571.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

What is the purity of this product, and how is it determined?

This product is supplied at ≥96% purity, determined by HPLC. 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 36707-00-3, the molecular formula is C13H15N5O6, and the molecular weight is 337.29 g/mol. InChIKey SPBWHPXCWJLQRU-FITJORAGSA-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.