VLX600 - ≥98% , CAS No.327031-55-0

CAS: 327031-55-0 Cat. No.: V414284 Fórmula: C₁₇H₁₅N₇ Peso molecular: 317.35 Número CE: 816-332-1 PubChem CID: 6410104

GRAU & PUREZA ≥98%

Synonyms

AKOS000354357 | EN300-395210 | MFCD01305422 | Z2694498001 | AS-79800 | 6-methyl-3-{(2E)-2-[1-(pyridin-2-yl)ethylidene]hydrazinyl}-5H-[1,2,4]triazino[5,6-b]indole | SCHEMBL20518451 | Ethanone, 1-(2-pyridinyl)-, 2-(6-methyl-5H-1,2,4-triazino(5,6-b)indol-3-y

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

Information

VLX600 VLX600 is a novel iron-chelating inhibitor of oxidative phosphorylation (OXPHOS) , potentiates the effect of radiation in tumor spheroids in a synergistic manner. VLX600 shows enhanced cytotoxic activity under conditions of nutrient starvation. VLX600 induces autophagy and mitochondrial inhibition with antitumor activity.

Targets

OXPHOS

In vitro

VLX600 shows enhanced cytotoxic activity under conditions of nutrient starvation. Mitochondrial inhibition with VLX600 has a direct antitumor effect in vitro while appearing to promote glycolysis through increased AKT signaling and glucose transporter expression. When combined with imatinib, VLX600 prevents imatinib-induced cell cycle escape and reduces p27 expression, leading to increased apoptosis when compared to imatinib alone.

In vivo

VLX600 induces the formation of autolysosomes in vivo. VLX600 displays tumour growth inhibition in vivo. When combined with imatinib, VLX600 reduces p27 expression and prevents imatinib-induced cell cycle escape, likely potentiating the antitumoral effects of Kit inhibition.

Cell Research(from reference)

Cell lines：human GIST-T1 cell line, human HG129 cell line, human GIST-882 cell line, 

Concentrations：2 μM, 6 μM, 12 μM 

Incubation Time：48–72h 

Especificações

Sinónimos

AKOS000354357 | EN300-395210 | MFCD01305422 | Z2694498001 | AS-79800 | 6-methyl-3-{(2E)-2-[1-(pyridin-2-yl)ethylidene]hydrazinyl}-5H-[1,2,4]triazino[5,6-b]indole | SCHEMBL20518451 | Ethanone, 1-(2-pyridinyl)-, 2-(6-methyl-5H-1,2,4-triazino(5,6-b)indol-3-y

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

VLX600 is a novel iron-chelating inhibitor of oxidative phosphorylation (OXPHOS), potentiates the effect of radiation in tumor spheroids in a synergistic manner. VLX600 shows enhanced cytotoxic activity under conditions of nutrient starvation. VLX600 indu

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

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

Pureza

≥98%

Propriedades do produto

ALogP

3.589

Contagem HBD

2

Ligação rotativa

3

Nomes e identificadores

Pubchem Sid

504764113

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764113

Sorrisos canónicos

CC1=C2C(=CC=C1)C3=C(N2)N=C(N=N3)NN=C(C)C4=CC=CC=N4

IUPAC Name

6-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine

InChIKey

UQOSBPRTQFFUOA-SRZZPIQSSA-N

INCHI

1S/C17H15N7/c1-10-6-5-7-12-14(10)19-16-15(12)22-24-17(20-16)23-21-11(2)13-8-3-4-9-18-13/h3-9H,1-2H3,(H2,19,20,23,24)/b21-11+

SMILES isoméricas

CC1=C2C(=CC=C1)C3=C(N2)N=C(N=N3)N/N=C(\C)/C4=CC=CC=N4

PubChem CID

6410104

Peso molecular

317.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Pyridines and derivatives Benzenoids 1,2,4-triazines Pyrroles Heteroaromatic compounds Hydrazones Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - 1,2,4-triazine - Benzenoid - Triazine - Pyridine - Heteroaromatic compound - Pyrrole - Azacycle - Hydrazone - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 13 mg/mL (40.96 mM); Water: ˂1 mg/mL Ethanol: ˂1 mg/mL
• DMSO (mg/mL) Solubilidade máxima: 13
• DMSO (mM) Solubilidade máxima: 40.9642350716874
• Água (mg/mL) Solubilidade máxima: ˂1
• Ponto de fusão (°C): >264°C (dec.)
• Peso molecular: 317.300 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 317.139 Da
• Monoisotopic Mass: 317.139 Da
• Topological Polar Surface Area: 91.700 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 468.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 327031-55-0, the molecular formula is C17H15N7, and the molecular weight is 317.35 g/mol. InChIKey UQOSBPRTQFFUOA-SRZZPIQSSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.