Fortaleza - ≥98% , CAS No.328087-38-3

CAS: 328087-38-3 Cat. No.: P274817 Fórmula: C₂₀H₂₅Cl₂FN₄OS Peso molecular: 459.42 PubChem CID: 9804228

GRADE & PURITY ≥98%

Synonyms

GS-1302 | (2S)-2,6-DIAMINO-N-(4-(5-FLUORO-1,3-BENZOTHIAZOL-2-YL)-2-METHYL-PHENYL)HEXANAMIDE HYDROCHLORIDE | 5F-DF-203-L-LYSINAMIDE DIHYDROCHLORIDE | Phortress | UNII-AXR52N9SMF | (2S)-2,6-Diamino-N-[4-(5-fluoro-2-benzothiazolyl)-2-methylphenyl]hexanamide

Storage

Armazenar a -20°C,Dessecado

Shipped In

Arca de gelo + almofadas de gelo

Visão geral

Armazenar a -20°C. Armazenar em condições de dessecação. O produto pode ser armazenado até 12 meses.

Specifications

Sinónimos

GS-1302 | (2S)-2,6-DIAMINO-N-(4-(5-FLUORO-1,3-BENZOTHIAZOL-2-YL)-2-METHYL-PHENYL)HEXANAMIDE HYDROCHLORIDE | 5F-DF-203-L-LYSINAMIDE DIHYDROCHLORIDE | Phortress | UNII-AXR52N9SMF | (2S)-2,6-Diamino-N-[4-(5-fluoro-2-benzothiazolyl)-2-methylphenyl]hexanamide

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Potente agente antitumoral (os valores de IC 50 para as células MCF-7 e MDA468 são 40 nM e 158 nM, respetivamente). Ativo contra carcinomas da mama, do ovário e renais. Absorvido por células sensíveis, seguido de ligação ao recetor de hidrocarbonetos aril

Condições de armazenamento de armazenamento

Armazenar a -20°C,Dessecado

Enviado em

Arca de gelo + almofadas de gelo

Nota

Sempre que possível, deve preparar e utilizar as soluções no mesmo dia. No entanto, se precisar de preparar soluções de reserva com antecedência, recomendamos que guarde a solução como alíquotas em frascos hermeticamente fechados a -20°C. Em geral, estas podem ser utilizadas durante um mês. Antes de utilizar, e antes de abrir o frasco para injectáveis, recomendamos que deixe o seu produto equilibrar-se à temperatura ambiente durante pelo menos 1 hora. Precisa de mais conselhos sobre solubilidade, utilização e manuseamento? Para mais informações, visite a nossa página de perguntas frequentes (FAQ).

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488196307
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196307
• Sorrisos canónicos: CC1=C(C=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F)NC(=O)C(CCCCN)N.Cl.Cl
• IUPAC Name: (2S)-2,6-diamino-N-[4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methylphenyl]hexanamide;dihydrochloride
• InChIKey: QZSMNTOCJVVFEU-CKUXDGONSA-N
• INCHI: 1S/C20H23FN4OS.2ClH/c1-12-10-13(20-25-17-11-14(21)6-8-18(17)27-20)5-7-16(12)24-19(26)15(23)4-2-3-9-22;;/h5-8,10-11,15H,2-4,9,22-23H2,1H3,(H,24,26);2*1H/t15-;;/m0../s1
• SMILES isoméricas: CC1=C(C=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F)NC(=O)[C@H](CCCCN)N.Cl.Cl
• PubChem CID: 9804228
• Peso molecular: 459.42

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 Alpha amino acid amides

• 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: Alpha amino acid amides
• Alternative Parents: Anilides Benzothiazoles N-arylamides Toluenes Aryl fluorides Fatty amides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Hydrochlorides Monoalkylamines Organic oxides Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - 1,3-benzothiazole - Anilide - N-arylamide - Toluene - Aryl fluoride - Aryl halide - Fatty amide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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

Alvos associados (não humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water to 100 mM and in DMSO to 100 mM
• Peso molecular: 459.400 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 458.111 Da
• Monoisotopic Mass: 458.111 Da
• Topological Polar Surface Area: 122.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 497.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 3

XLogP3