1-Isopropyl-1,2,3-benzotriazole-5-carboxylic acid - Moligand™, ≥97% , Agonist of HCA 3 receptor, CAS No.306935-41-1, Agonist of HCA 3 receptor

CAS: 306935-41-1 Cat. No.: I183569 Molecular Weight: 205.2 EC Number: 672-993-4
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. ≥97%
Synonyms
CCG-248413 | 1-Isopropyl-1H-1,2,3-benzotriazole-5-carboxylic acid, AldrichCPR | 1-isopropyl-1h-benzo[d][1,2,3]triazole-5-carboxylic acid | 1-Isopropylbenzotriazole-5-carboxylic acid | A820514 | IBC293 | IBC-293 | PS-3172 | 1-Isopropyl-1H-1,2,3-benzotriazo
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
I183569-250mg
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$112.90
1g
I183569-1g
3

$346.90

$413.90
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Why this grade

Moligand™, ≥97% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal 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
CCG-248413 | 1-Isopropyl-1H-1, 2, 3-benzotriazole-5-carboxylic acid, AldrichCPR | 1-isopropyl-1h-benzo[d][1, 2, 3]triazole-5-carboxylic acid | 1-Isopropylbenzotriazole-5-carboxylic acid | A820514 | IBC293 | IBC-293 | PS-3172 | 1-Isopropyl-1H-1, 2, 3-benzotriazo
Specifications & Purity
Moligand™, ≥97%
Biochemical and Physiological Mechanisms
Highly selective agonist for GPR109B (HM74), human orphan G-protein-coupled receptor expressed in adipocytes. Selective for GPR109B over niacin receptor GPR109A (HM74A); EC50values are 400 nM and > 1μM respectively. Inhibits isoproterenol-stimulated lipol
Storage
Room temperature
Shipped In
Normal
Grade
Moligand™
Action Type
AGONIST
Mechanism of action
Agonist of HCA 3 receptor
Purity
≥97%
Names and Identifiers
Pubchem Sid504761325
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504761325
Canonical SmilesCC(C)N1C2=C(C=C(C=C2)C(=O)O)N=N1
IUPAC Name1-propan-2-ylbenzotriazole-5-carboxylic acid
InChIKeyRUTVRAJKELSHCC-UHFFFAOYSA-N
INCHI1S/C10H11N3O2/c1-6(2)13-9-4-3-7(10(14)15)5-8(9)11-12-13/h3-6H,1-2H3,(H,14,15)
Isomeric SMILES CC(C)N1C2=C(C=C(C=C2)C(=O)O)N=N1
Molecular Weight 205.2
Reaxy-Rn 10339488
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10339488&ln=

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
ClassBenzotriazoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzotriazoles
Alternative Parents Benzenoids  Triazoles  Heteroaromatic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzotriazole - Benzenoid - Azole - Triazole - 1,2,3-triazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzotriazoles. These are organic compounds containing a benzene fused to a triazole ring (a five-membered ring with two carbon atoms and three nitrogen atoms).
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HCAR3 Tchem Hydroxycarboxylic acid receptor 3 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HCAR3 Tchem HM74 nicotinic acid GPCR (353 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLK Tbio DNA polymerase kappa (8653 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRB1 Tclin Adrenergic receptor beta (1214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hcar2 Hydroxycarboxylic acid receptor 2 (55 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 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:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot NumberCertificate TypeDateItem
F2310325Certificate of AnalysisMar 16, 2026 I183569
F2310336Certificate of AnalysisMar 16, 2026 I183569
Chemical and Physical Properties
SolubilitySolvent:DMSO, Max Conc. mg/mL: 20.52, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 20.52, Max Conc. mM: 100
Molecular Weight205.210 g/mol
XLogP31.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass205.085 Da
Monoisotopic Mass205.085 Da
Topological Polar Surface Area68.000 Ų
Heavy Atom Count15
Formal Charge0
Complexity257.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
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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