TAK-418 - Moligand™ , Inhibitor of lysine demethylase 1A, CAS No.1818252-52-6, Inhibitor of lysine demethylase 1A

CAS: 1818252-52-6 Cat. No.: T614312 PubChem CID: 118432652

GRADE & PURITY Moligand™

Synonyms

TAK-418 free base|N9N6RK0CBN|UNII-N9N6RK0CBN|CHEMBL3775474|1818252-52-6|5-((1R,2R)-2-((Cyclopropylmethyl)amino)cyclopropyl)-N-(tetrahydro-2H-pyran-4-yl)thiophene-3-carboxamide|SCHEMBL17158703|GTPL11516|BDBM50153586|5-[(1R,2R)-2-(cyclopropylmethylamino)cyc

Storage

Room temperature

Specifications

Synonyms

TAK-418 free base | N9N6RK0CBN | UNII-N9N6RK0CBN | CHEMBL3775474 | 1818252-52-6 | 5-((1R, 2R)-2-((Cyclopropylmethyl)amino)cyclopropyl)-N-(tetrahydro-2H-pyran-4-yl)thiophene-3-carboxamide | SCHEMBL17158703 | GTPL11516 | BDBM50153586 | 5-[(1R, 2R)-2-(cyclopropylmethylamino)cyc

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of lysine demethylase 1A

Names and Identifiers

• Canonical Smiles: O=C(c1csc(c1)[C@@H]1C[C@H]1NCC1CC1)NC1CCOCC1
• IUPAC Name: 5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide
• InChIKey: QZNGFWQWWSECMG-HUUCEWRRSA-N
• INCHI: 1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15-/m1/s1
• Isomeric SMILES: C1CC1CN[C@@H]2C[C@H]2C3=CC(=CS3)C(=O)NC4CCOCC4
• PubChem CID: 118432652

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thiophenes
      • Subclass Thiophene carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thiophenes
• Subclass: Thiophene carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophene carboxamides
• Alternative Parents: Aralkylamines Oxanes Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkylamines Dialkyl ethers Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiophene carboxamide - Aralkylamine - Oxane - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Oxacycle - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organopnictogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide.
• 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

Associated Targets(Human)

KDM1A Tchem Lysine-specific histone demethylase 1A (0 Activities)

Discover Target: KDM1A

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

Mechanisms of Action