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(1S,3R,4R,4aR,7S,8S)-4-[(benzylcarbamoyl)oxy]-8-{2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-decahydronaphthalen-1-yl 2,2-dimethylbutanoate , CAS No.S608813, Inhibitor of hydroxymethylglutaryl-CoA reductase

COA

Grade & Purity:

Moligand™

PubChem CID: 44461899

In stock

Item Number

S608813

Grouped product items
SKU	Size	Availability	Price	Qty
S608813-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$700.90
S608813-25mg	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 18
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 Benzene and substituted derivatives Carbamate esters Secondary alcohols Carboxylic acid esters Oxacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Delta valerolactone - Fatty acid ester - Delta_valerolactone - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Oxane - Carbamic acid ester - Carboxylic acid ester - Secondary alcohol - Oxacycle - Carboxylic acid derivative - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Aromatic 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)

Names and Identifiers

IUPAC Name	(1S,3R,4R,4aR,7S,8S)-4-[(benzylcarbamoyl)oxy]-8-{2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-decahydronaphthalen-1-yl 2,2-dimethylbutanoate
INCHI	InChI=1S/C33H49NO7/c1-6-33(4,5)31(37)40-27-16-21(3)30(41-32(38)34-19-22-10-8-7-9-11-22)26-14-12-20(2)25(29(26)27)15-13-24-17-23(35)18-28(36)39-24/h7-11,20-21,23-27,29-30,35H,6,12-19H2,1-5H3,(H,34,38)/t20-,21+,23+,24?,25-,26+,27-,29?,30+/m0/s1
InChIKey	ZUURLVDIZFDZJT-UQLLKHDVSA-N
Smiles	CCC(C(=O)O[C@H]1C[C@@H](C)[C@H]([C@H]2C1[C@@H](CCC1C[C@@H](O)CC(=O)O1)[C@H](CC2)C)OC(=O)NCc1ccccc1)(C)C
Isomeric SMILES	CCC(C)(C)C(=O)O[C@H]1C[C@H]([C@H]([C@H]2C1[C@H]([C@H](CC2)C)CCC3C[C@H](CC(=O)O3)O)OC(=O)NCC4=CC=CC=C4)C
PubChem CID	44461899

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

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