(Rac)-Antineoplaston A10 - ≥98% , CAS No.77658-84-5

CAS: 77658-84-5 Cat. No.: R412513 Molecular Weight: 246.26

GRADE & PURITY ≥98%

Synonyms

HY-128553A | MFCD00057923 | BCP32894 | 3-Phenylacetylamino-2,6-piperidinedione | EN300-15204363 | D70661 | SMR001875261 | N-(2,6-Dioxopiperidin-3-yl)benzeneacetamide | Benzeneacetamide,N-(2,6-dioxo-3-piperidinyl)- | N-(2,6-Dioxo-piperidin-3-yl)-2-phenyl-a

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

HY-128553A | MFCD00057923 | BCP32894 | 3-Phenylacetylamino-2, 6-piperidinedione | EN300-15204363 | D70661 | SMR001875261 | N-(2, 6-Dioxopiperidin-3-yl)benzeneacetamide | Benzeneacetamide, N-(2, 6-dioxo-3-piperidinyl)- | N-(2, 6-Dioxo-piperidin-3-yl)-2-phenyl-a

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

(rac)-Antineoplaston A10 is the racemate of Antineoplaston A10. Antineoplaston A10 is an inhibitor of Ras that is potentially used for the treatment of glioma, lymphoma, astrocytoma and breast cancer.

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

≥98%

Names and Identifiers

• Canonical Smiles: C1CC(=O)NC(=O)C1NC(=O)CC2=CC=CC=C2
• IUPAC Name: N-(2,6-dioxopiperidin-3-yl)-2-phenylacetamide
• InChIKey: OQGRFQCUGLKSAV-UHFFFAOYSA-N
• INCHI: 1S/C13H14N2O3/c16-11-7-6-10(13(18)15-11)14-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,17)(H,15,16,18)
• Isomeric SMILES: C1CC(=O)NC(=O)C1NC(=O)CC2=CC=CC=C2
• Molecular Weight: 246.26
• Reaxy-Rn: 6145655
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6145655&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids and derivatives
• Alternative Parents: Phenylacetamides Piperidinediones Delta lactams N-unsubstituted carboxylic acid imides Dicarboximides Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-acyl-alpha amino acid or derivatives - Phenylacetamide - Piperidinedione - Delta-lactam - Piperidinone - Monocyclic benzene moiety - Piperidine - Benzenoid - Carboxylic acid imide - Dicarboximide - Carboxylic acid imide, n-unsubstituted - Lactam - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
• 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

Chemical and Physical Properties

• Molecular Weight: 246.260 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 246.1 Da
• Monoisotopic Mass: 246.1 Da
• Topological Polar Surface Area: 75.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 348.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1