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methyl (3R,5S,6E)-7-[3-bromo-4,5-bis(4-fluorophenyl)-2-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyhept-6-enoate , CAS No.M609174, Inhibitor of hydroxymethylglutaryl-CoA reductase

COA

Grade & Purity:

Moligand™

PubChem CID: 9937377

In stock

Item Number

M609174

Grouped product items
SKU	Size	Availability	Price	Qty
M609174-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,300.90
M609174-25mg	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 3h
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 Pyrroles
    - Subclass Substituted pyrroles
      - Level5 Phenylpyrroles
        Level6 Diphenylpyrroles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrroles
Subclass	Substituted pyrroles
Intermediate Tree Nodes	Phenylpyrroles
Direct Parent	Diphenylpyrroles
Alternative Parents	Beta hydroxy acids and derivatives Fatty acid methyl esters Fluorobenzenes Aryl bromides Aryl fluorides Methyl esters Heteroaromatic compounds Secondary alcohols Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organofluorides Organonitrogen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2,3-diphenylpyrrole - Halobenzene - Fluorobenzene - Fatty acid ester - Fatty acid methyl ester - Beta-hydroxy acid - Fatty acyl - Benzenoid - Hydroxy acid - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Methyl ester - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylpyrroles. These are aromatic heterocyclic compounds with a structure based on a pyrrole ring linked to exactly two phenyl groups.
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)

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	methyl (3R,5S,6E)-7-[3-bromo-4,5-bis(4-fluorophenyl)-2-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyhept-6-enoate
INCHI	InChI=1S/C27H28BrF2NO4/c1-16(2)26-25(28)24(17-4-8-19(29)9-5-17)27(18-6-10-20(30)11-7-18)31(26)13-12-21(32)14-22(33)15-23(34)35-3/h4-13,16,21-22,32-33H,14-15H2,1-3H3/b13-12+/t21-,22-/m1/s1
InChIKey	MUTCAPXLKRYEPR-ITWZMISCSA-N
Smiles	COC(=O)C[C@@H](C[C@@H](/C=C/n1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccc(cc1)F)Br)O)O
Isomeric SMILES	CC(C)C1=C(C(=C(N1/C=C/[C@H](C[C@H](CC(=O)OC)O)O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)Br
PubChem CID	9937377

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

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