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

COA

Grade & Purity:

Moligand™

Cas Number: 1818252-52-6
PubChem CID: 118432652

In stock

Item Number

T614312

Grouped product items
SKU	Size	Availability	Price	Qty
T614312-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$580.90
T614312-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,020.90

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lysine demethylase 1A Inhibitor (8)

Basic Description

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™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of lysine demethylase 1A

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
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

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide
INCHI	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
InChIKey	QZNGFWQWWSECMG-HUUCEWRRSA-N
Smiles	O=C(c1csc(c1)[C@@H]1C[C@H]1NCC1CC1)NC1CCOCC1
Isomeric SMILES	C1CC1CN[C@@H]2C[C@H]2C3=CC(=CS3)C(=O)NC4CCOCC4
PubChem CID	118432652

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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