ruserontinib - Moligand™ , Tyrosine-protein kinase ABL inhibitor, CAS No.1350544-93-2, Tyrosine-protein kinase ABL inhibitor

CAS: 1350544-93-2 Cat. No.: R613335 Fórmula: C₂₄H₂₉N₉ Peso molecular: 443.5 PubChem CID: 54760385

GRAU & PUREZA Moligand™

Synonyms

9-(1-Methylethyl)-N2-[4-(4-methyl-1-piperazinyl)phenyl]-N8-3-pyridinyl-9H-purine-2,8-diamine | 9H-Purine-2,8-diamine, 9-(1-methylethyl)-N2-[4-(4-methyl-1-piperazinyl)phenyl]-N8-3-pyridinyl- | Ruserontinib | AQ3TTU8UM7 | 1350544-93-2 | 9-(1-Methylethyl)-N2

Storage

Room temperature

Especificações

Sinónimos

9-(1-Methylethyl)-N2-[4-(4-methyl-1-piperazinyl)phenyl]-N8-3-pyridinyl-9H-purine-2,8-diamine | 9H-Purine-2,8-diamine, 9-(1-methylethyl)-N2-[4-(4-methyl-1-piperazinyl)phenyl]-N8-3-pyridinyl- | Ruserontinib | AQ3TTU8UM7 | 1350544-93-2 | 9-(1-Methylethyl)-N2

Especificações e pureza

Moligand™

Condições de armazenamento de armazenamento

Room temperature

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Tyrosine-protein kinase ABL inhibitor

Propriedades do produto

ALogP

3.4

Nomes e identificadores

Sorrisos canónicos

CN1CCN(CC1)c1ccc(cc1)Nc1ncc2nc(n(c2n1)C(C)C)Nc1cnccc1

IUPAC Name

2-N-[4-(4-methylpiperazin-1-yl)phenyl]-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine

InChIKey

WSOHOUHPUOAXIN-UHFFFAOYSA-N

INCHI

1S/C24H29N9/c1-17(2)33-22-21(29-24(33)28-19-5-4-10-25-15-19)16-26-23(30-22)27-18-6-8-20(9-7-18)32-13-11-31(3)12-14-32/h4-10,15-17H,11-14H2,1-3H3,(H,28,29)(H,26,27,30)

SMILES isoméricas

CC(C)N1C2=NC(=NC=C2N=C1NC3=CN=CC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C

PubChem CID

54760385

Peso molecular

443.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Purines and purine derivatives Dialkylarylamines Aniline and substituted anilines N-methylpiperazines Aminopyrimidines and derivatives Aminopyridines and derivatives N-substituted imidazoles Aminoimidazoles Heteroaromatic compounds Trialkylamines Secondary amines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Imidazopyrimidine - Purine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyrimidine - N-alkylpiperazine - N-methylpiperazine - Aminopyridine - Monocyclic benzene moiety - Benzenoid - Pyrimidine - N-substituted imidazole - Pyridine - Aminoimidazole - Azole - Heteroaromatic compound - Imidazole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Organopnictogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
• 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 (humanos)

EGFR Tclin Epidermal growth factor receptor (1 Activities)

Discover Target: EGFR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

FLT3 Tclin Receptor-type tyrosine-protein kinase FLT3 (0 Activities)

Discover Target: FLT3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 443.500 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 443.255 Da
• Monoisotopic Mass: 443.255 Da
• Topological Polar Surface Area: 87.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 603.000
• 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

Perguntas frequentes

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 1350544-93-2, the molecular formula is C24H29N9, and the molecular weight is 443.5 g/mol. InChIKey WSOHOUHPUOAXIN-UHFFFAOYSA-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.