Takinib - Moligand™ , Inhibitor of CDC like kinase 2;Inhibitor of interleukin 1 receptor associated kinase 1;Inhibitor of interleukin 1 receptor associated kinase 4;Inhibitor of mitogen-activated protein kinase kinase kinase 7, CAS No.T614320, Inhibitor of CDC like kinase 2;Inhibitor of interleukin 1 receptor associated kinase 1;Inhibitor of interleukin 1 receptor associated kinase 4;Inhibitor of mitogen-activated protein kinase kinase kinase 7

CAS: T614320 Cat. No.: T614320 PubChem CID: 37750349

GRAU & PUREZA Moligand™

Synonyms

N17080 | SCHEMBL20063046 | F0918-1884 | A928060 | Tox21_300612 | Diethyl phthalate, 99% | NSC789624 | NSC-789624 | UNII-Z56NTB3YHJ | CCG-267729 | Z332866662 | 1-N-(1-propyl-1H-1,3-benzodiazol-2-yl)benzene-1,3-dicarboxamide | AKOS037515558 | GTPL9655 | MFC

Storage

Room temperature

Especificações

Sinónimos

N17080 | SCHEMBL20063046 | F0918-1884 | A928060 | Tox21_300612 | Diethyl phthalate, 99% | NSC789624 | NSC-789624 | UNII-Z56NTB3YHJ | CCG-267729 | Z332866662 | 1-N-(1-propyl-1H-1,3-benzodiazol-2-yl)benzene-1,3-dicarboxamide | AKOS037515558 | GTPL9655 | MFC

Especificações e pureza

Moligand™

Condições de armazenamento de armazenamento

Room temperature

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Inhibitor of CDC like kinase 2;Inhibitor of interleukin 1 receptor associated kinase 1;Inhibitor of interleukin 1 receptor associated kinase 4;Inhibitor of mitogen-activated protein kinase kinase kinase 7

Nomes e identificadores

Sorrisos canónicos

CCCn1/c(=N/C(=O)c2cccc(c2)C(=O)N)/[nH]c2c1cccc2

IUPAC Name

3-N-(1-propylbenzimidazol-2-yl)benzene-1,3-dicarboxamide

InChIKey

UOZVVPXKJGOFIG-UHFFFAOYSA-N

INCHI

1S/C18H18N4O2/c1-2-10-22-15-9-4-3-8-14(15)20-18(22)21-17(24)13-7-5-6-12(11-13)16(19)23/h3-9,11H,2,10H2,1H3,(H2,19,23)(H,20,21,24)

SMILES isoméricas

CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC=CC(=C3)C(=O)N

PubChem CID

37750349

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Benzamides Benzoyl derivatives N-substituted imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzamide - Benzimidazole - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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)

IRAK4 Tchem Interleukin-1 receptor-associated kinase 4 (1 Activities)

Discover Target: IRAK4

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

IRAK1 Tchem Interleukin-1 receptor-associated kinase 1 (1 Activities)

Discover Target: IRAK1

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

MAP3K7 Tchem Mitogen-activated protein kinase kinase kinase 7 (1 Activities)

Discover Target: MAP3K7

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

CLK2 Tchem Dual specificity protein kinase CLK2 (1 Activities)

Discover Target: CLK2

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

Propriedades químicas e físicas

• Peso molecular: 322.400 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 322.143 Da
• Monoisotopic Mass: 322.143 Da
• Topological Polar Surface Area: 90.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 470.000
• 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 T614320. InChIKey UOZVVPXKJGOFIG-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.