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(1S,3R,4aR,7S,8S,8aS)-3-hydroxy-8-{2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl (2S)-2-methylbutanoate , CAS No.S609043, Inhibitor of hydroxymethylglutaryl-CoA reductase

COA

Grade & Purity:

Moligand™

PubChem CID: 15931922

In stock

Item Number

S609043

Grouped product items
SKU	Size	Availability	Price	Qty
S609043-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$700.90
S609043-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

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hydroxymethylglutaryl-CoA reductase Inhibitor (72)

Basic Description

Synonyms	compound 29
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of hydroxymethylglutaryl-CoA reductase

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Lactones
    - Subclass Delta valerolactones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Lactones
Subclass	Delta valerolactones
Intermediate Tree Nodes	Not available
Direct Parent	Delta valerolactones
Alternative Parents	Fatty acid esters Oxanes Dicarboxylic acids and derivatives Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Delta valerolactone - Fatty acid ester - Delta_valerolactone - Dicarboxylic acid or derivatives - Oxane - Fatty acyl - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.
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)

HMGCR Tclin 3-hydroxy-3-methylglutaryl-coenzyme A reductase (1 Activities)

Discover Target: HMGCR

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

HMGCR Tclin HMG-CoA reductase (2475 Activities)

Discover Target: HMGCR

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	(1S,3R,4aR,7S,8S,8aS)-3-hydroxy-8-{2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl (2S)-2-methylbutanoate
INCHI	InChI=1S/C23H36O6/c1-4-13(2)23(27)29-20-11-16(24)9-15-6-5-14(3)19(22(15)20)8-7-18-10-17(25)12-21(26)28-18/h5-6,13-20,22,24-25H,4,7-12H2,1-3H3/t13-,14-,15-,16+,17+,18?,19-,20-,22-/m0/s1
InChIKey	LJOOWESTVASNOG-UFJKPHDISA-N
Smiles	CC[C@@H](C(=O)O[C@H]1C[C@H](O)C[C@H]2[C@H]1[C@@H](CCC1C[C@@H](O)CC(=O)O1)[C@H](C=C2)C)C
Isomeric SMILES	CC[C@H](C)C(=O)O[C@H]1C[C@@H](C[C@H]2[C@H]1[C@H]([C@H](C=C2)C)CCC3C[C@H](CC(=O)O3)O)O
PubChem CID	15931922

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

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