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ethyl(3-phenylprop-2-yn-1-yl)[(3-{[4-(thiophen-3-yl)thiophen-2-yl]methoxy}phenyl)methyl]amine , CAS No.E608859, Inhibitor of lanosterol synthase

COA

Grade & Purity:

Moligand™

PubChem CID: 44270471

In stock

Item Number

E608859

Grouped product items
SKU	Size	Availability	Price	Qty
E608859-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$600.90
E608859-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

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lanosterol synthase Inhibitor (16)

Basic Description

Synonyms	compound 1
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of lanosterol synthase

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Bi- and oligothiophenes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Bi- and oligothiophenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Bi- and oligothiophenes
Alternative Parents	Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines Aralkylamines Alkyl aryl ethers Thiophenes Heteroaromatic compounds Trialkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Bithiophene - Benzylamine - Phenol ether - Phenylmethylamine - Phenoxy compound - Aralkylamine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Thiophene - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Ether - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as bi- and oligothiophenes. These are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms.
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)

SQLE Tchem Squalene monooxygenase (1 Activities)

Discover Target: SQLE

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

LSS Tchem Lanosterol synthase (1 Activities)

Discover Target: LSS

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

Associated Targets(non-human)

ERG1 Squalene monooxygenase (20 Activities)

Discover Target: ERG1

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

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	ethyl(3-phenylprop-2-yn-1-yl)[(3-{[4-(thiophen-3-yl)thiophen-2-yl]methoxy}phenyl)methyl]amine
INCHI	InChI=1S/C27H25NOS2/c1-2-28(14-7-11-22-8-4-3-5-9-22)18-23-10-6-12-26(16-23)29-19-27-17-25(21-31-27)24-13-15-30-20-24/h3-6,8-10,12-13,15-17,20-21H,2,14,18-19H2,1H3
InChIKey	GZVZWBOHPHLQFU-UHFFFAOYSA-N
Smiles	CCN(Cc1cccc(c1)OCc1scc(c1)c1cscc1)CC#Cc1ccccc1
Isomeric SMILES	CCN(CC#CC1=CC=CC=C1)CC2=CC(=CC=C2)OCC3=CC(=CS3)C4=CSC=C4
PubChem CID	44270471

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