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· · COA & SDS available for every product · Same-day shipping on in-stock items LLY 507 - Moligand™, ≥98%(HPLC) , Inhibitor of SET and MYND domain containing 2, CAS No.1793053-37-8, Inhibitor of SET and MYND domain containing 2
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. ≥98%(HPLC) Synonyms
5-cyano-2'-(4-(2-(3-methyl-1H-indol-1-yl)ethyl)piperazin-1-yl)-N-(3-(pyrrolidin-1-yl)propyl)-[1,1'-biphenyl]-3-carboxamide
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™, ≥98%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads 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
5-cyano-2'-(4-(2-(3-methyl-1H-indol-1-yl)ethyl)piperazin-1-yl)-N-(3-(pyrrolidin-1-yl)propyl)-[1, 1'-biphenyl]-3-carboxamide
Specifications & Purity
Moligand™, ≥98%(HPLC)
Biochemical and Physiological Mechanisms
Potent SMYD2 inhibitor (IC50= 15 nM). Exhibits >100-fold selectivity for SMYD2 over 25 other methyltransferases including SMYD3, SUV420H1 and SUV420H2. Inhibits SMYD2-mediated p53 methylationin vitro. Also inhibits proliferation of a range of esophageal,
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Mechanism of action
Inhibitor of SET and MYND domain containing 2
Names and Identifiers Pubchem Sid 504772629 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504772629 Canonical Smiles CC1=CN(C2=CC=CC=C12)CCN3CCN(CC3)C4=CC=CC=C4C5=CC(=CC(=C5)C#N)C(=O)NCCCN6CCCC6 IUPAC Name 3-cyano-5-[2-[4-[2-(3-methylindol-1-yl)ethyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide InChIKey PNYRDVBFYVDJJI-UHFFFAOYSA-N INCHI 1S/C36H42N6O/c1-28-27-42(34-11-4-2-9-32(28)34)22-19-40-17-20-41(21-18-40)35-12-5-3-10-33(35)30-23-29(26-37)24-31(25-30)36(43)38-13-8-16-39-14-6-7-15-39/h2-5,9-12,23-25,27H,6-8,13-22H2,1H3,(H,38,43) Isomeric SMILES CC1=CN(C2=CC=CC=C12)CCN3CCN(CC3)C4=CC=CC=C4C5=CC(=CC(=C5)C#N)C(=O)NCCCN6CCCC6 MeSH Entry Terms 3-cyano-5-(2-(4-(2-(3-methylindol-1-yl)ethyl)piperazin-1-yl)phenyl)-N-((3-pyrrolidin-1-yl)propyl)benzamide;LLY-507 Molecular Weight 574.76 Reaxy-Rn 30549332 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30549332&ln=
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 Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Biphenyls and derivatives Intermediate Tree Nodes Not available Direct Parent Biphenylcarbonitriles Alternative Parents Phenylpiperazines N-arylpiperazines 3-methylindoles N-alkylindoles Benzamides Aniline and substituted anilines Benzonitriles Benzoyl derivatives Dialkylarylamines N-alkylpiperazines Substituted pyrroles N-alkylpyrrolidines Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Organic anions Molecular Framework Aromatic heteropolycyclic compounds Substituents Biphenylcarbonitrile - Phenylpiperazine - N-arylpiperazine - 3-methylindole - 3-alkylindole - N-alkylindole - Indole or derivatives - Indole - Benzoic acid or derivatives - Benzamide - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzoyl - Benzonitrile - Aniline or substituted anilines - N-alkylpiperazine - Piperazine - N-alkylpyrrolidine - 1,4-diazinane - Substituted pyrrole - Pyrrolidine - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Amine - Hydrocarbon derivative - Organic oxide - Cyanide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic anion - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Solvent:1eq. HCl, Max Conc. mg/mL: 57.48, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 57.48, Max Conc. mM: 100 Molecular Weight 574.800 g/mol XLogP3 5.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 10 Exact Mass 574.342 Da Monoisotopic Mass 574.342 Da Topological Polar Surface Area 67.500 Ų Heavy Atom Count 43 Formal Charge 0 Complexity 935.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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