V-9302 - ≥98% , CAS No.1855871-76-9

CAS: 1855871-76-9 Cat. No.: V305261 分子式: C₃₄H₃₈N₂O₄ 分子量: 538.68 PubChem CID: 127035871

GRADE & PURITY ≥98%

Synonyms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

description：

V-9302 is a competitive antagonist of transmembrane glutamine flux. V-9302 selectively and potently targets the amino acid transporter ASCT2 (SLC1A5) not ASCT1. V-9302 inhibits ASCT2-mediated glutamine uptake (IC50=9.6 µM) in HEK-293 cells

Specifications

同義語

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

仕様と純度

≥98%

生化学的・生理学的メカニズム

Competitive antagonist of the amino acid transporter ASCT2 (SLC1A5) with anti-tumor activity V-9302 is a selective competitive antagonist of the amino acid transporter ASCT2 (SLC1A5) with anti-tumor activity. V-9302 caused reduced cellular viability and i

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

ANTAGONIST

純度

≥98%

名前と識別子

パブケム・シド

504773028

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体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

分子量

538.68

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 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
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

Slc1a5 Amino acid transporter (271 Activities)

Discover Target: Slc1a5

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

作用メカニズム

化学的性質と物理的性質

• 感度: Moisture sensitive
• 分子量: 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