BMS-986318 - Moligand™ , Agonist of Farnesoid X receptor, CAS No.B608161, Agonist of Farnesoid X receptor

CAS: B608161 Cat. No.: B608161 PubChem CID: 138592025
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
2314378-09-9 | YO3W29IM33 | UNII-YO3W29IM33 | SCHEMBL20952191 | EX-A6049 | HY-139562 | compound 1 [PMID: 34531950] | BDBM50572221 | GTPL11728 | WPGAVSDZYIRUGE-UHFFFAOYSA-N | BMS986318 | BMS-986318 | 2-Quinolinecarboxylic acid, 6-(2-(5-cyclopropyl-3-(3,5-d
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
B608161-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$799.90
25mg
B608161-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,300.90
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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
2314378-09-9 | YO3W29IM33 | UNII-YO3W29IM33 | SCHEMBL20952191 | EX-A6049 | HY-139562 | compound 1 [PMID: 34531950] | BDBM50572221 | GTPL11728 | WPGAVSDZYIRUGE-UHFFFAOYSA-N | BMS986318 | BMS-986318 | 2-Quinolinecarboxylic acid, 6-(2-(5-cyclopropyl-3-(3, 5-d
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
AGONIST
Mechanism of action
Agonist of Farnesoid X receptor
Names and Identifiers
Canonical SmilesC1(CC1)c1c(c(no1)c1c(cncc1Cl)Cl)C1=CC2(C1)CCN(CC2)c1cc2c(cc(nc2cc1)C(=O)O)C(F)(F)F
InChIKeyWPGAVSDZYIRUGE-UHFFFAOYSA-N
INCHI1S/C30H23Cl2F3N4O3/c31-20-13-36-14-21(32)25(20)26-24(27(42-38-26)15-1-2-15)16-11-29(12-16)5-7-39(8-6-29)17-3-4-22-18(9-17)19(30(33,34)35)10-23(37-22)28(40)41/h3-4,9-11,13-15H,1-2,5-8,12H2,(H,40,41)
Isomeric SMILES C1CC1C2=C(C(=NO2)C3=C(C=NC=C3Cl)Cl)C4=CC5(C4)CCN(CC5)C6=CC7=C(C=C6)N=C(C=C7C(F)(F)F)C(=O)O
PubChem CID 138592025

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ Certificate of Analysis (COA)

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

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassQuinolines and derivatives
SubclassQuinoline carboxylic acids
Intermediate Tree Nodes Not available
Direct ParentQuinoline carboxylic acids
Alternative Parents Aminoquinolines and derivatives  Pyridinecarboxylic acids  Polyhalopyridines  Dialkylarylamines  5-cyclopropylisoxazoles  Hydroxypyridines  Heterocyclic fatty acids  Halogenated fatty acids  Branched fatty acids  2-halopyridines  Piperidines  Benzenoids  Secondary ketimines  Heteroaromatic compounds  Trialkylamines  Amino acids  Vinyl chlorides  Propargyl-type 1,3-dipolar organic compounds  Oxacyclic compounds  Monocarboxylic acids and derivatives  Enamines  Chloroalkenes  Carboxylic acids  Azacyclic compounds  Aldimines  Organopnictogen compounds  Organooxygen compounds  Organofluorides  Organochlorides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Quinoline-2-carboxylic acid - Aminoquinoline - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - 5-cyclopropylisoxazole - Cyclopropylisoxazole - Polyhalopyridine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 2-halopyridine - Hydroxypyridine - Heterocyclic fatty acid - Halogenated fatty acid - Branched fatty acid - Fatty acyl - Benzenoid - Pyridine - Piperidine - Heteroaromatic compound - Secondary ketimine - Isoxazole - Azole - Amino acid - Tertiary aliphatic amine - Tertiary amine - Ketimine - Amino acid or derivatives - Oxacycle - Azacycle - Chloroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl chloride - Monocarboxylic acid or derivatives - Enamine - Carboxylic acid - Carboxylic acid derivative - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Imine - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
NR1H4 Tclin Bile acid receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PGR Tclin Progesterone receptor (8562 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C8 Tchem Cytochrome P450 2C8 (1492 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1H3 Tchem LXR-alpha (2891 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1H2 Tchem LXR-beta (3841 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RORA Tchem Nuclear receptor ROR-alpha (562 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Ppard Peroxisome proliferator-activated receptor delta (358 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nr1h4 Bile acid receptor (142 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 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
Reviews

Customer Reviews

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