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

Synonymes

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

Spécifications et pureté

Moligand™

Conditions de stockage de stockage

Room temperature

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Inhibitor of lysine demethylase 1A

Noms et identifiants

Sourires canoniques

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

Isomères 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
    • Classe Thiophenes
      • Subclass Thiophene carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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

Cibles associées (humaines)

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)

Mécanismes d'action

Foire aux questions

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 1818252-52-6. InChIKey QZNGFWQWWSECMG-HUUCEWRRSA-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.