V-9302 - ≥98% , CAS No.1855871-76-9

CAS: 1855871-76-9 Cat. No.: V305261 Formula: C₃₄H₃₈N₂O₄ Peso molecolare: 538.68 PubChem CID: 127035871

GRADE & PURITY ≥98%

Synonyms

(2S)-2-Amino-4-[bis[[2-[(3-methylphenyl)methoxy]phenyl]methyl]amino]-butanoic acid

Storage

Conservare a -20°C

Shipped In

Cassetta del ghiaccio + cuscini per il ghiaccio

Panoramica

descrizione：V-9302 è un antagonista competitivo del flusso transmembrana di glutammina

V-9302 è un antagonista competitivo del flusso transmembrana di glutammina. V-9302 ha come bersaglio selettivo e potente il trasportatore di aminoacidi ASCT2 (SLC1A5) e non ASCT1. V-9302 inibisce l'assorbimento di glutammina mediato da ASCT2 (IC50=9,6 µM) in cellule HEK-293

Specifications

Sinonimi

(2S)-2-Amino-4-[bis[[2-[(3-methylphenyl)methoxy]phenyl]methyl]amino]-butanoic acid

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

Antagonista competitivo del trasportatore di aminoacidi ASCT2 (SLC1A5) con attività antitumorale V-9302 è un antagonista competitivo selettivo del trasportatore di aminoacidi ASCT2 (SLC1A5) con attività antitumorale. Il V-9302 ha provocato una riduzione d

Condizioni di conservazione di stoccaggio

Conservare a -20°C

Spedito in

Cassetta del ghiaccio + cuscini per il ghiaccio

Tipo di azione

ANTAGONIST

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504773028

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773028

Sorrisi canonici

CC1=CC(=CC=C1)COC2=CC=CC=C2CN(CCC(C(=O)O)N)CC3=CC=CC=C3OCC4=CC=CC(=C4)C

IUPAC Name

(2S)-2-amino-4-[bis[[2-[(3-methylphenyl)methoxy]phenyl]methyl]amino]butanoic acid

InChIKey

YGKNVAAMULVFNN-HKBQPEDESA-N

INCHI

1S/C34H38N2O4/c1-25-9-7-11-27(19-25)23-39-32-15-5-3-13-29(32)21-36(18-17-31(35)34(37)38)22-30-14-4-6-16-33(30)40-24-28-12-8-10-26(2)20-28/h3-16,19-20,31H,17-18,21-24,35H2,1-2H3,(H,37,38)/t31-/m0/s1

Isomeri SMILES

CC1=CC(=CC=C1)COC2=CC=CC=C2CN(CC[C@@H](C(=O)O)N)CC3=CC=CC=C3OCC4=CC=CC(=C4)C

PubChem CID

127035871

Peso molecolare

538.68

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 acids
              • Level8 L-alpha-amino acids

• 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 - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: Benzylamines Phenol ethers Phenoxy compounds Phenylmethylamines Alkyl aryl ethers Amino fatty acids Aralkylamines Toluenes Amino acids Trialkylamines Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: L-alpha-amino acid - Phenoxy compound - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Amino fatty acid - Aralkylamine - Toluene - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Amino acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic oxygen compound - Primary aliphatic amine - Amine - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Primary amine - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon 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

Obiettivi associati (non umani)

Slc1a5 Amino acid transporter (271 Activities)

Discover Target: Slc1a5

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Peso molecolare: 538.700 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 538.283 Da
• Monoisotopic Mass: 538.283 Da
• Topological Polar Surface Area: 85.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 687.000
• 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: 1