(1S,2S,3S,5R)-1-(carboxymethyl)-3,5-bis({[(4-phenoxyphenyl)methyl](propyl)carbamoyl})cyclopentane-1,2-dicarboxylic acid - Moligand™ , Inhibitor of squalene synthase , CAS No.S608732, Inhibitor of squalene synthase

CAS: S608732 Cat. No.: S608732 PubChem CID: 44382842
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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
compound 14
Storage
Room temperature
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Size
Status
Price
Qty
5mg
S608732-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$799.90
25mg
S608732-25mg
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
compound 14
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of squalene synthase
Names and Identifiers
Canonical SmilesCCCN(C(=O)[C@H]1C[C@H]([C@]([C@H]1C(=O)O)(CC(=O)O)C(=O)O)C(=O)N(Cc1ccc(cc1)Oc1ccccc1)CCC)Cc1ccc(cc1)Oc1ccccc1
IUPAC Name(1S,2S,3S,5R)-1-(carboxymethyl)-3,5-bis({[(4-phenoxyphenyl)methyl](propyl)carbamoyl})cyclopentane-1,2-dicarboxylic acid
InChIKeySZUVGFMDDVSKSI-WIFOCOSTSA-N
INCHI1S/C43H46N2O10/c1-3-23-44(27-29-15-19-33(20-16-29)54-31-11-7-5-8-12-31)39(48)35-25-36(43(42(52)53,26-37(46)47)38(35)41(50)51)40(49)45(24-4-2)28-30-17-21-34(22-18-30)55-32-13-9-6-10-14-32/h5-22,35-36,38H,3-4,23-28H2,1-2H3,(H,46,47)(H,50,51)(H,52,53)/t35-,36-,38+,43-/m0/s1
Isomeric SMILES CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)[C@H]3C[C@H]([C@]([C@H]3C(=O)O)(CC(=O)O)C(=O)O)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5
PubChem CID 44382842

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
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassDiphenylethers
Intermediate Tree Nodes Not available
Direct ParentDiphenylethers
Alternative Parents Diarylethers  Monocyclic monoterpenoids  Iridoids and derivatives  Aromatic monoterpenoids  Tricarboxylic acids and derivatives  Phenoxy compounds  Phenol ethers  Tertiary carboxylic acid amides  Tertiary amines  Amino acids  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Diphenylether - Diaryl ether - 11-noriridane monoterpenoid - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Tricarboxylic acid or derivatives - Phenoxy compound - Phenol ether - Tertiary carboxylic acid amide - Amino acid - Carboxamide group - Amino acid or derivatives - Tertiary amine - Ether - Carboxylic acid - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
FDFT1 Tchem Squalene synthase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Solution Calculators
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