FTI 277 - ≥95%(HPLC) , CAS No.1217447-06-7

CAS: 1217447-06-7 Cat. No.: F287477 Fórmula: C₂₂H₂₉N₃O₃S₂•C₂HF₃O₂ Peso molecular: 561.64 PubChem CID: 71311821

GRADE & PURITY ≥95%(HPLC)

Synonyms

N-[4-[2(R)-Amino-3-mercaptopropyl]amino-2-phenylbenzoyl]methionine methyl ester trifluoroacetate salt

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

N-[4-[2(R)-Amino-3-mercaptopropyl]amino-2-phenylbenzoyl]methionine methyl ester trifluoroacetate salt

Especificações e pureza

≥95%(HPLC)

Mecanismos bioquímicos e fisiológicos

Prodrug form ofFTI 276 that inhibits farnesyltransferase (FTase) (IC50= 0.5 nM). Inhibits H-Ras and K-Ras processing in whole cells (IC50values are 0.1 and 10μM respectively) and disrupts constitutive H-Ras-specific activation of MAPK. Causes significant

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥95%(HPLC)

Nomes e identificadores

Sorrisos canónicos

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NCC(CS)N)C2=CC=CC=C2.C(=O)(C(F)(F)F)O

IUPAC Name

methyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate;2,2,2-trifluoroacetic acid

InChIKey

GJEFFRDWFVSCOJ-PXPMWPIZSA-N

INCHI

1S/C22H29N3O3S2.C2HF3O2/c1-28-22(27)20(10-11-30-2)25-21(26)18-9-8-17(24-13-16(23)14-29)12-19(18)15-6-4-3-5-7-15;3-2(4,5)1(6)7/h3-9,12,16,20,24,29H,10-11,13-14,23H2,1-2H3,(H,25,26);(H,6,7)/t16-,20+;/m1./s1

SMILES isoméricas

COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC=C2.C(=O)(C(F)(F)F)O

PubChem CID

71311821

Peso molecular

561.64

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Methionine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Methionine and derivatives
• Alternative Parents: Alpha amino acid esters Hippuric acids and derivatives N-acyl-alpha amino acids and derivatives Biphenyls and derivatives Aminobenzamides Aniline and substituted anilines Benzoyl derivatives Phenylalkylamines Fatty acid esters Secondary alkylarylamines Methyl esters Alpha-halocarboxylic acids Secondary carboxylic acid amides Sulfenyl compounds Dialkylthioethers Carboxylic acids Alkylthiols Monocarboxylic acids and derivatives Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organofluorides Organic oxides
• Molecular Framework: Not available
• Substituents: Methionine or derivatives - Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Biphenyl - Aminobenzamide - Aminobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenylalkylamine - Aniline or substituted anilines - Benzoyl - Fatty acid ester - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Methyl ester - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Secondary amine - Dialkylthioether - Thioether - Monocarboxylic acid or derivatives - Alkylthiol - Sulfenyl compound - Carboxylic acid - Organosulfur compound - Carbonyl group - Primary aliphatic amine - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as methionine and derivatives. These are compounds containing methionine or a derivative thereof resulting from reaction of methionine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Propriedades químicas e físicas

• Solubilidade: Solvent:water, Max Conc. mg/mL: 2.81, Max Conc. mM: 5
• Peso molecular: 561.600 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 12
• Exact Mass: 561.158 Da
• Monoisotopic Mass: 561.158 Da
• Topological Polar Surface Area: 157.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 615.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 2

XLogP3