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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 Benin - Moligand™, ≥98% , CAS No.22181-94-8
グレード＆純度 Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98% Synonyms
Butocine | MS-25123 | Q27260958 | ethyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetate | ButocineButocin | Glycine, N-(5-(purin-6-ylthio)valeryl)-, ethyl ester | Benin | Glycine, N-(1-oxo-5-(1H-purin-6-ylthio)pentyl)-, ethyl ester | DTXSID80944832 | 5
Storage
Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
概要 Benin is a potent cytostatic agent that can be used for the treatment of generalized carcinoma of the breast.
In Vitro
Benin is a cytostatic drug, but inactive in the standard plate incorporation method of Ames reversion test using four Salmonella typhimurium strains. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
仕様 同義語
Butocine | MS-25123 | Q27260958 | ethyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetate | ButocineButocin | Glycine, N-(5-(purin-6-ylthio)valeryl)-, ethyl ester | Benin | Glycine, N-(1-oxo-5-(1H-purin-6-ylthio)pentyl)-, ethyl ester | DTXSID80944832 | 5
生化学的・生理学的メカニズム
Benin is a potent cytostatic agent that can be used for the treatment of generalized carcinoma of the breast.
保管条件
Store at -20°C,Desiccated
入荷
Ice chest + Ice pads
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名前と識別子 カノニカル・スマイル
CCOC(=O)CNC(=O)CCCCSC1=NC=NC2=C1NC=N2
IUPAC Name
ethyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetate
InChIKey
GOZRRIWDZQPGMN-UHFFFAOYSA-N
INCHI
1S/C14H19N5O3S/c1-2-22-11(21)7-15-10(20)5-3-4-6-23-14-12-13(17-8-16-12)18-9-19-14/h8-9H,2-7H2,1H3,(H,15,20)(H,16,17,18,19)
異性体SMILES
CCOC(=O)CNC(=O)CCCCSC1=NC=NC2=C1NC=N2
MeSH用語
butocin;butocine;butoglycine;N-(5-(6-purinylthio)valeryl)glycine ethyl ester;NSC-172755
詳細データ Taxonomic Classification Kingdom Organic compounds Superclass Organic acids and derivatives 分類 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 Alpha amino acid esters 6-thiopurines Alkylarylthioethers Pyrimidines and pyrimidine derivatives N-acyl amines Imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - 6-thiopurine - Imidazopyrimidine - Purine - Aryl thioether - Alkylarylthioether - Fatty amide - N-acyl-amine - Pyrimidine - Fatty acyl - Azole - Heteroaromatic compound - Imidazole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Sulfenyl compound - Thioether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound 説明 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.
3 D構造 作用メカニズム 証明書（CoA、COO、BSE/TSEと分析図） 化学的性質と物理的性質 分子量 337.400 g/mol XLogP3 0.900 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 10 Exact Mass 337.121 Da Monoisotopic Mass 337.121 Da Topological Polar Surface Area 135.000 Ų Heavy Atom Count 23 Formal Charge 0 Complexity 399.000 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
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