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Phenylacetylglutamine (sodium)

CAT: 0804-HY-W050026ASize: 1 EachDry Ice: NoHazardous: No
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Description
Phenylacetylglutamine (sodium) can be obtained from the hydrolysis of Antineoplaston A10. Phenylacetylglutamine (sodium) exhibits antineoplastic activity in breast carcinoma tissue culture. Phenylacetylglutamine (sodium) exerts low actue and chronic toxicity in mouse model. Phenylacetylglutamine (sodium) can be studied in research on breast cancer[1].
CAS Number
104771-87-1
Product Name Alternative
NSC 203800 (sodium) ; Phenylacetyl-L-glutamine (sodium)
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Biochemical Assay Reagents; Endogenous Metabolite
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Cancer
Smiles
O=C(CC1=CC=CC=C1)N[C@H](C(O[Na])=O)CCC(N)=O
Molecular Formula
C13H15N2NaO4
Molecular Weight
286.26
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Burzynski SR, et al., Preclinical studies on antineoplaston AS2-1 and antineoplaston AS2-5. Drugs Exp Clin Res. 1986;12 Suppl 1:11-6.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Human Endogenous Metabolite; Microbial Metabolite

Chemical Information

Sodium phenylacetyl glutamine
CAS Number104771-87-1
PubChem CID23663405
IUPAC Namesodium (2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoate
Molecular FormulaC13H15N2NaO4
Molecular Weight286.26
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count20
Formal Charge0
Complexity343
SMILES
C1=CC=C(C=C1)CC(=O)N[C@@H](CCC(=O)N)C(=O)[O-].[Na+]
InChI
InChI=1S/C13H16N2O4.Na/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9;/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19);/q;+1/p-1/t10-;/m0./s1
InChIKey
JABIYIZXMBIFLT-PPHPATTJSA-M
Chemical Structure
2D Structure
2D structure of Sodium phenylacetyl glutamine
CAS: 104771-87-1
CID: 23663405
Formula: C13H15N2NaO4
MW: 286.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.26
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass286.09295125
Monoisotopic Mass286.09295125
Topological Polar Surface Area112 Ų
Heavy Atom Count20
Formal Charge0
Complexity343
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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