CTX1 - Moligand™,≥96% , CAS No.501935-96-2

CAS: 501935-96-2 Cat. No.: C646180 Fórmula: C₁₄H₁₀N₄ Peso molecular: 234.26 Número CE: 110-728-1 PubChem CID: 435038

GRAU & PUREZA Moligand™, ≥96%

Synonyms

3,6-Diaminoacridine-9-carbonitrile

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Especificações

Sinónimos

3,6-Diaminoacridine-9-carbonitrile

Especificações e pureza

Moligand™,≥96%

Mecanismos bioquímicos e fisiológicos

CTX1 is a p53 activator that overcomes HdmX-mediated p53 repression. CTX1 exhibits potent anti-cancer activity in a mouse acute myeloid leukemia (AML) model system.

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Argon charged

Enviado em

Wet ice

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

Grau

Moligand™

Tipo de ação

INHIBITOR

Pureza

≥96%

Nomes e identificadores

Sorrisos canónicos

C1=CC2=C(C=C1N)N=C3C=C(C=CC3=C2C#N)N

IUPAC Name

3,6-diaminoacridine-9-carbonitrile

InChIKey

PUMGFEMNXBLDKD-UHFFFAOYSA-N

INCHI

1S/C14H10N4/c15-7-12-10-3-1-8(16)5-13(10)18-14-6-9(17)2-4-11(12)14/h1-6H,16-17H2

SMILES isoméricas

C1=CC2=C(C=C1N)N=C3C=C(C=CC3=C2C#N)N

PubChem CID

435038

Peso molecular

234.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Benzoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Acridines
• Alternative Parents: Aminoquinolines and derivatives Pyridines and derivatives Benzenoids Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acridine - Aminoquinoline - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocycle which consists of two benzene rings joined by a pyridine ring.
• 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

Propriedades químicas e físicas

• Solubilidade: DMSO : 12.5 mg/mL (53.36 mM; ultrasonic and warming and heat to 60°C)
• Peso molecular: 234.260 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 234.091 Da
• Monoisotopic Mass: 234.091 Da
• Topological Polar Surface Area: 88.700 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 334.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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