o-hydroxyatorvastatin - Moligand™ , Inhibitor of hydroxymethylglutaryl-CoA reductase, CAS No.214217-86-4, Inhibitor of hydroxymethylglutaryl-CoA reductase

CAS: 214217-86-4 Cat. No.: O612471 Molecular Weight: 574.6 PubChem CID: 9808225
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid | PD-152873 | (3r,5r)-7-[2-(4-Fluorophenyl)-4-[(2-Hydroxyphenyl)carbamoyl]-5-(1-Methylethyl)-3-Phenyl-1h-Pyrrol-1-Yl]-3,5-Dihydroxy
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
O612471-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$799.90
25mg
O612471-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,714.90
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
(3R, 5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3, 5-dihydroxyheptanoic acid | PD-152873 | (3r, 5r)-7-[2-(4-Fluorophenyl)-4-[(2-Hydroxyphenyl)carbamoyl]-5-(1-Methylethyl)-3-Phenyl-1h-Pyrrol-1-Yl]-3, 5-Dihydroxy
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of hydroxymethylglutaryl-CoA reductase
Names and Identifiers
Canonical SmilesCC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4O
IUPAC Name(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
InChIKeyCZBPKFICAYVHHM-JWQCQUIFSA-N
INCHI1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-26-10-6-7-11-27(26)39)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-24(37)18-25(38)19-28(40)41/h3-15,20,24-25,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)/t24-,25-/m1/s1
Isomeric SMILES CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4O
Alternate CAS 214217-86-4
PubChem CID 9808225
Molecular Weight 574.6

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassPyrroles
SubclassSubstituted pyrroles
Intermediate Tree Nodes Phenylpyrroles
Direct ParentDiphenylpyrroles
Alternative Parents Aromatic anilides  Medium-chain hydroxy acids and derivatives  Medium-chain fatty acids  Pyrrole carboxamides  Beta hydroxy acids and derivatives  Fluorobenzenes  Halogenated fatty acids  Heterocyclic fatty acids  Hydroxy fatty acids  1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Aryl fluorides  Vinylogous amides  Heteroaromatic compounds  Secondary carboxylic acid amides  Secondary alcohols  Carboxylic acids  Monocarboxylic acids and derivatives  Azacyclic compounds  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organofluorides  Organonitrogen compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 2,3-diphenylpyrrole - Aromatic anilide - Medium-chain hydroxy acid - Pyrrole-3-carboxamide - Medium-chain fatty acid - Pyrrole-3-carboxylic acid or derivatives - Beta-hydroxy acid - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Halogenated fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Phenol - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydroxy acid - Fatty acyl - Fatty acid - Benzenoid - Vinylogous amide - Heteroaromatic compound - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HMGCR Tclin 3-hydroxy-3-methylglutaryl-coenzyme A reductase (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HMGCR Tclin HMG-CoA reductase (2475 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight574.600 g/mol
XLogP34.600
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass574.248 Da
Monoisotopic Mass574.248 Da
Topological Polar Surface Area132.000 Ų
Heavy Atom Count42
Formal Charge0
Complexity861.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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