J-104118 - Moligand™ , Inhibitor of squalene synthase , CAS No.172277-82-6, Inhibitor of squalene synthase

CAS: 172277-82-6 Cat. No.: J611213 PubChem CID: 10460101
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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
J 104118
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
J611213-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,142.90

$1,334.90
Save $192.00 (14.38%)
25mg
J611213-25mg
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$1,800.90
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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
J 104118
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of squalene synthase
Names and Identifiers
Canonical SmilesO=C(C[C@H](C(=O)O)CC(=O)O)N[C@H]([C@H](c1ccc(c(c1)F)c1ccccc1)Cc1ccc(c(c1)Cl)Cl)C
IUPAC Name(2S)-2-({[(2S,3S)-4-(3,4-dichlorophenyl)-3-(3-fluoro-4-phenylphenyl)butan-2-yl]carbamoyl}methyl)butanedioic acid
InChIKeyNBRLADMQSZWKGO-XUEUYAKLSA-N
INCHI1S/C28H26Cl2FNO5/c1-16(32-26(33)14-20(28(36)37)15-27(34)35)22(11-17-7-10-23(29)24(30)12-17)19-8-9-21(25(31)13-19)18-5-3-2-4-6-18/h2-10,12-13,16,20,22H,11,14-15H2,1H3,(H,32,33)(H,34,35)(H,36,37)/t16-,20-,22+/m0/s1
Isomeric SMILES C[C@@H]([C@@H](CC1=CC(=C(C=C1)Cl)Cl)C2=CC(=C(C=C2)C3=CC=CC=C3)F)NC(=O)C[C@@H](CC(=O)O)C(=O)O
PubChem CID 10460101

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
SuperclassPhenylpropanoids and polyketides
ClassStilbenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentStilbenes
Alternative Parents Biphenyls and derivatives  Aromatic monoterpenoids  Monocyclic monoterpenoids  Phenylpropanes  Dichlorobenzenes  Fluorobenzenes  Aryl chlorides  Aryl fluorides  N-acyl amines  Dicarboxylic acids and derivatives  Secondary carboxylic acid amides  Carboxylic acids  Hydrocarbon derivatives  Carbonyl compounds  Organic oxides  Organochlorides  Organofluorides  Organonitrogen compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Stilbene - Biphenyl - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Phenylpropane - 1,2-dichlorobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Benzenoid - N-acyl-amine - Fatty acyl - Aryl fluoride - Dicarboxylic acid or derivatives - Fatty amide - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
FDFT1 Tchem Squalene synthase (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Associated Targets(non-human)
Fdft1 Squalene synthetase (34 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 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:
Solution Calculators
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