N-[3-(4-methylpiperazine-1-carbonyl)-2-propan-2-yloxyphenyl]-4-oxo-1H-thieno[3,2-d]pyrimidine-7-carboxamide - Moligand™ , Inhibitor of mitogen-activated protein kinase kinase kinase 7, CAS No.N608685, Inhibitor of mitogen-activated protein kinase kinase kinase 7

CAS: N608685 Cat. No.: N608685 PubChem CID: 135567181

GRADE & PURITY Moligand™

Synonyms

compound 12

Storage

Room temperature

Specifications

Sinónimos

compound 12

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of mitogen-activated protein kinase kinase kinase 7

Nombres e identificadores

• Sonrisas canónicas: CN1CCN(CC1)C(=O)c1cccc(c1OC(C)C)NC(=O)c1csc2c1nc[nH]c2=O
• IUPAC Name: N-[3-(4-methylpiperazine-1-carbonyl)-2-propan-2-yloxyphenyl]-4-oxo-1H-thieno[3,2-d]pyrimidine-7-carboxamide
• InChIKey: MJJJFOLDERHCND-UHFFFAOYSA-N
• INCHI: 1S/C22H25N5O4S/c1-13(2)31-18-14(22(30)27-9-7-26(3)8-10-27)5-4-6-16(18)25-20(28)15-11-32-19-17(15)23-12-24-21(19)29/h4-6,11-13H,7-10H2,1-3H3,(H,25,28)(H,23,24,29)
• Isómeros SMILES: CC(C)OC1=C(C=CC=C1NC(=O)C2=CSC3=C2N=CNC3=O)C(=O)N4CCN(CC4)C
• PubChem CID: 135567181

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Thienopyrimidines Benzamides Pyrimidinecarboxamides Thiophene carboxamides Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Pyrimidones N-methylpiperazines Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aromatic anilide - Benzamide - Benzoic acid or derivatives - Pyrimidinecarboxamide - Thienopyrimidine - Phenoxy compound - Benzoyl - Phenol ether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Pyrimidone - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Piperazine - Pyrimidine - Tertiary carboxylic acid amide - Thiophene - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Amino acid or derivatives - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl 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

Objetivos asociados (humanos)

MAP3K7 Tchem Mitogen-activated protein kinase kinase kinase 7 (2 Activities)

Discover Target: MAP3K7

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

FLT3 Tclin Tyrosine-protein kinase receptor FLT3 (13481 Activities)

Discover Target: FLT3

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

MAP3K7 Tchem Mitogen-activated protein kinase kinase kinase 7 (1167 Activities)

Discover Target: MAP3K7

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

MAP4K4 Tchem Mitogen-activated protein kinase kinase kinase kinase 4 (2886 Activities)

Discover Target: MAP4K4

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

PIP4K2C Tchem Phosphatidylinositol-5-phosphate 4-kinase type-2 gamma (641 Activities)

Discover Target: PIP4K2C

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

PIP5K1C Tchem Phosphatidylinositol-4-phosphate 5-kinase type-1 gamma (331 Activities)

Discover Target: PIP5K1C

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

SW982 (212 Activities)

Explore this target

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

Mecanismos de acción