VLX600 - 10mM in DMSO , CAS No.327031-55-0

CAS: 327031-55-0 Cat. No.: V423334 分子式: C₁₇H₁₅N₇ 分子量: 317.35 EC番号: 816-332-1 PubChem CID: 6410104

グレード＆純度 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

概要

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 

仕様

同義語

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

仕様と純度

10mM in DMSO

生化学的・生理学的メカニズム

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

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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。

製品の性質

ALogP

3.589

HBD数

2

回転可能な結合

3

名前と識別子

パブケム・シド

528767644

カノニカル・スマイル

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+

異性体SMILES

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

PubChem CID

6410104

分子量

317.35

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

• DMSO（mg / mL） 最大溶解度: 13
• DMSO（mM） 最大溶解度: 40.9642350716874
• 水（mg / mL） 最大溶解度: ˂1
• 融点（°C）: >264°C (dec.)
• 分子量: 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