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

CAS: 36707-00-3 Cat. No.: A287100 Molecular Weight: 337.29 EC Number: 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

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

Specifications & Purity

≥96%(HPLC)

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥96%(HPLC)

Names and Identifiers

• Canonical Smiles: 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
• Isomeric 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
• Molecular Weight: 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
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Glycosylamines

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 33.73, Max Conc. mM: 100
• Molecular Weight: 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