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Lanosterol biosynthesis pathway
2-[1-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl]piperidin-4-yl]acetic acid , CAS No.R608736, Inhibitor of squalene synthase

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2-[1-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl]piperidin-4-yl]acetic acid , CAS No.R608736, Inhibitor of squalene synthase

Moligand™

PubChem CID: 57778011

Item Number

R608736

Grouped product items
SKU	Size	Availability	Price	Qty
R608736-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$570.90
R608736-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

View related series

squalene synthase Inhibitor

Basic Description

Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of squalene synthase

Associated Targets(Human)

FDFT1 Tchem Squalene synthase (1 Activities)

Discover Target: FDFT1

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

Associated Targets(non-human)

Fdft1 Squalene synthetase (34 Activities)

Discover Target: Fdft1

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	2-[1-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl]piperidin-4-yl]acetic acid
INCHI	InChI=1S/C29H31ClN2O6/c1-36-24-7-3-5-20(29(24)37-2)28-21-16-19(30)8-9-22(21)32-12-4-6-23(32)25(38-28)17-26(33)31-13-10-18(11-14-31)15-27(34)35/h3-9,12,16,18,25,28H,10-11,13-15,17H2,1-2H3,(H,34,35)/t25-,28-/m1/s1
InChi Key	MSSQOQPKGAMUSY-LEAFIULHSA-N
Canonical SMILES	COc1cccc(c1OC)[C@H]1O[C@H](CC(=O)N2CCC(CC2)CC(=O)O)c2n(c3c1cc(Cl)cc3)ccc2
Isomeric SMILES	COC1=CC=CC(=C1OC)[C@@H]2C3=C(C=CC(=C3)Cl)N4C=CC=C4[C@H](O2)CC(=O)N5CCC(CC5)CC(=O)O
PubChem CID	57778011

Database links

PubChem CID	57778011
ChEMBL Ligand	CHEMBL2057280
RCSB PDB Ligand	D3A

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