conteltinib - Moligand™ , Inhibitor of protein tyrosine kinase 2;Inhibitor of protein tyrosine kinase 2 beta, CAS No.C609541, Inhibitor of protein tyrosine kinase 2;Inhibitor of protein tyrosine kinase 2 beta

CAS: C609541 Cat. No.: C609541 PubChem CID: 89860551

GRADE & PURITY Moligand™

Synonyms

GTPL9763 | CT707 | CT-707 | Benzenesulfonamide, 2-((6,7-dihydro-2-((2-methoxy-4-(4-(4-methyl-1-piperazinyl)-1-piperidinyl)phenyl)amino)-5H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)-N-(1-methylethyl)- | SCHEMBL15333520 | 2-[[2-[2-methoxy-4-[4-(4-methylpiperazin-

Storage

Room temperature

Specifications

Synonyme

GTPL9763 | CT707 | CT-707 | Benzenesulfonamide, 2-((6,7-dihydro-2-((2-methoxy-4-(4-(4-methyl-1-piperazinyl)-1-piperidinyl)phenyl)amino)-5H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)-N-(1-methylethyl)- | SCHEMBL15333520 | 2-[[2-[2-methoxy-4-[4-(4-methylpiperazin-

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of protein tyrosine kinase 2;Inhibitor of protein tyrosine kinase 2 beta

Namen und Kennungen

• Kanonisches Lächeln: COc1cc(ccc1Nc1nc2NCCc2c(n1)Nc1ccccc1S(=O)(=O)NC(C)C)N1CCC(CC1)N1CCN(CC1)C
• IUPAC Name: 2-[[2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide
• InChIKey: NPJCURIANJMFEO-UHFFFAOYSA-N
• INCHI: 1S/C32H45N9O3S/c1-22(2)38-45(42,43)29-8-6-5-7-27(29)34-31-25-11-14-33-30(25)36-32(37-31)35-26-10-9-24(21-28(26)44-4)40-15-12-23(13-16-40)41-19-17-39(3)18-20-41/h5-10,21-23,38H,11-20H2,1-4H3,(H3,33,34,35,36,37)
• Isomere SMILES: CC(C)NS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC3=C2CCN3)NC4=C(C=C(C=C4)N5CCC(CC5)N6CCN(CC6)C)OC
• PubChem CID: 89860551

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Benzenesulfonamides Pyrrolopyrimidines Methoxyanilines Aminophenyl ethers Benzenesulfonyl compounds Phenoxy compounds Anisoles Methoxybenzenes Dialkylarylamines Aminopiperidines Aminopyrimidines and derivatives Alkyl aryl ethers N-methylpiperazines Organosulfonamides Imidolactams Aminosulfonyl compounds Pyrroles Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperidine - Benzenesulfonamide - Pyrrolopyrimidine - Aminophenyl ether - Methoxyaniline - Benzenesulfonyl group - Tertiary aliphatic/aromatic amine - Phenoxy compound - Phenol ether - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Anisole - N-alkylpiperazine - N-methylpiperazine - Alkyl aryl ether - 4-aminopiperidine - Aminopyrimidine - Imidolactam - Benzenoid - 1,4-diazinane - Piperazine - Pyrimidine - Monocyclic benzene moiety - Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Pyrrole - Organic sulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine 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

Zugehörige Ziele (menschlich)

PTK2 Tclin Focal adhesion kinase 1 (1 Activities)

Discover Target: PTK2

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

PTK2B Tclin Protein-tyrosine kinase 2-beta (1 Activities)

Discover Target: PTK2B

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

PTK2 Tclin Focal adhesion kinase 1 (4730 Activities)

Discover Target: PTK2

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 635.800 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 635.337 Da
• Monoisotopic Mass: 635.337 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 1030.000
• 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

Häufig gestellte Fragen

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 C609541. InChIKey NPJCURIANJMFEO-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.