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

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

COA

Grade & Purity:

Moligand™

Cas Number: 1350544-93-2
Molecular Weight: 443.5
PubChem CID: 54760385

In stock

Item Number

R613335

Grouped product items
SKU	Size	Availability	Price	Qty
R613335-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
R613335-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,001.90

View related series

fms related receptor tyrosine kinase 3 Inhibitor (60) Non-receptor Tyrosine Kinase (643) Receptor Tyrosine Kinase (1260)

Basic Description

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
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Tyrosine-protein kinase ABL inhibitor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	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
Description	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
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

Product Properties

ALogP	3.4

Associated Targets(Human)

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2-N-[4-(4-methylpiperazin-1-yl)phenyl]-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine
INCHI	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)
InChIKey	WSOHOUHPUOAXIN-UHFFFAOYSA-N
Smiles	CN1CCN(CC1)c1ccc(cc1)Nc1ncc2nc(n(c2n1)C(C)C)Nc1cnccc1
Isomeric SMILES	CC(C)N1C2=NC(=NC=C2N=C1NC3=CN=CC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C
PubChem CID	54760385
Molecular Weight	443.5

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	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 Å²
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

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