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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items RWJ-56110 - Moligand™ , Antagonist of PAR1, CAS No.252889-88-6, Antagonist of PAR1
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.
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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 Especificaciones y pureza
Moligand™
Condiciones de almacenamiento de almacenamiento
Room temperature
Mecanismo de acción
Antagonist of PAR1
Nombres e identificadores Sonrisas canónicas NCC[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](Cc1ccc(c(c1)F)F)NC(=O)Nc1ccc2c(c1)n(Cc1c(Cl)cccc1Cl)cc2CN1CCCC1 IUPAC Name (2S)-4-amino-2-[[(2S)-2-[[1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indol-6-yl]carbamoylamino]-3-(3,4-difluorophenyl)propanoyl]amino]-N-(phenylmethyl)butanamide InChIKey SWPAWRHBFNDXEU-BCRBLDSWSA-N INCHI 1S/C41H43Cl2F2N7O3/c42-32-9-6-10-33(43)31(32)25-52-24-28(23-51-17-4-5-18-51)30-13-12-29(21-38(30)52)48-41(55)50-37(20-27-11-14-34(44)35(45)19-27)40(54)49-36(15-16-46)39(53)47-22-26-7-2-1-3-8-26/h1-3,6-14,19,21,24,36-37H,4-5,15-18,20,22-23,25,46H2,(H,47,53)(H,49,54)(H2,48,50,55)/t36-,37-/m0/s1 Isómeros SMILES C1CCN(C1)CC2=CN(C3=C2C=CC(=C3)NC(=O)N[C@@H](CC4=CC(=C(C=C4)F)F)C(=O)N[C@@H](CCN)C(=O)NCC5=CC=CC=C5)CC6=C(C=CC=C6Cl)Cl PubChem CID 9853822
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 Organic acids and derivatives Clase Carboxylic acids and derivatives Subclass Amino acids, peptides, and analogues Intermediate Tree Nodes Peptides Direct Parent Dipeptides Alternative Parents Phenylalanine and derivatives N-acyl-alpha amino acids and derivatives N-carbamoyl-alpha amino acids and derivatives Alpha amino acid amides N-alkylindoles Amphetamines and derivatives 3-alkylindoles Dichlorobenzenes Fluorobenzenes Aralkylamines N-alkylpyrrolidines N-acyl amines Aryl chlorides Aryl fluorides Substituted pyrroles Heteroaromatic compounds Trialkylamines Ureas Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organochlorides Organofluorides Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Alpha-dipeptide - Phenylalanine or derivatives - N-carbamoyl-alpha-amino acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - N-alkylindole - 3-alkylindole - Indole or derivatives - Indole - 1,3-dichlorobenzene - Chlorobenzene - Fluorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - N-acyl-amine - N-alkylpyrrolidine - Substituted pyrrole - Pyrrolidine - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Urea - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Organochloride - Organic oxide - Hydrocarbon derivative - Carbonyl group - Amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Primary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. 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.
Estructura 3D Objetivos asociados (humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 790.700 g/mol XLogP3 6.000 Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 15 Exact Mass 789.277 Da Monoisotopic Mass 789.277 Da Topological Polar Surface Area 134.000 Ų Heavy Atom Count 55 Formal Charge 0 Complexity 1240.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 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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Reconstitution Calculator Reseñas Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
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