FR191413 - Moligand™ , Agonist of B 2 receptor, CAS No.F610399, Agonist of B 2 receptor

CAS: F610399 Cat. No.: F610399 PubChem CID: 10394861
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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
FR 191413;FR-191413
Storage
Room temperature
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Size
Status
Price
Qty
5mg
F610399-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$923.90
25mg
F610399-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,714.90

$3,231.90
Save $1,517.00 (46.94%)
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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
FR 191413;FR-191413
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
AGONIST
Mechanism of action
Agonist of B 2 receptor
Names and Identifiers
Canonical SmilesCOc1nc2c(n1Cc1ccccn1)cccc2OCc1c(Cl)ccc(c1Cl)N(C(=O)CNC(=O)/C=C/c1ccc(nc1)NC(=O)C)C
IUPAC Name(E)-3-(6-acetamidopyridin-3-yl)-N-[2-[[2,4-dichloro-3-[[2-methoxy-1-(pyridin-2-ylmethyl)benzimidazol-4-yl]oxymethyl]phenyl]-methylamino]-2-oxoethyl]prop-2-enamide
InChIKeyKXMCFJQQOFOBKN-RVDMUPIBSA-N
INCHI1S/C34H31Cl2N7O5/c1-21(44)40-29-14-10-22(17-38-29)11-15-30(45)39-18-31(46)42(2)26-13-12-25(35)24(32(26)36)20-48-28-9-6-8-27-33(28)41-34(47-3)43(27)19-23-7-4-5-16-37-23/h4-17H,18-20H2,1-3H3,(H,39,45)(H,38,40,44)/b15-11+
Isomeric SMILES CC(=O)NC1=NC=C(C=C1)/C=C/C(=O)NCC(=O)N(C)C2=C(C(=C(C=C2)Cl)COC3=CC=CC4=C3N=C(N4CC5=CC=CC=N5)OC)Cl
PubChem CID 10394861

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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives
Direct ParentN-acyl-alpha amino acids and derivatives
Alternative Parents Alpha amino acid amides  N-acetylarylamines  Anilides  Benzimidazoles  Phenol ethers  Dichlorobenzenes  Alkyl aryl ethers  Pyridines and derivatives  N-substituted imidazoles  Imidolactams  Aryl chlorides  Tertiary carboxylic acid amides  Acetamides  Heteroaromatic compounds  Secondary carboxylic acid amides  Azacyclic compounds  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organochlorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-acetylarylamine - Benzimidazole - Anilide - Phenol ether - 1,3-dichlorobenzene - N-arylamide - Alkyl aryl ether - Halobenzene - Chlorobenzene - Benzenoid - Imidolactam - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Imidazole - Tertiary carboxylic acid amide - Acetamide - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Ether - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
BDKRB2 Tclin B2 bradykinin receptor (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
BDKRB2 Tclin Bradykinin B2 receptor (3970 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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