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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Cathepsin Inhibitor 1 - ≥99% , CAS No.225120-65-0
Synonyms
1H-Pyrazole-5-carboxamide, N-[(1S)-1-[(3-chlorophenyl)methyl]-2-[(cyanomethyl)amino]-2-oxoethyl]-3-(1,1-dimethylethyl)-1-methyl-
Shipped In
Ice chest + Ice pads
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Why this grade ≥99% 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 Sinónimos
1H-Pyrazole-5-carboxamide, N-[(1S)-1-[(3-chlorophenyl)methyl]-2-[(cyanomethyl)amino]-2-oxoethyl]-3-(1, 1-dimethylethyl)-1-methyl-
Especificaciones y pureza
≥99%
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Pubchem Sid 504770316 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504770316 Sonrisas canónicas CC(C)(C)C1=NN(C(=C1)C(=O)NC(CC2=CC(=CC=C2)Cl)C(=O)NCC#N)C IUPAC Name 5-tert-butyl-N-[(2S)-3-(3-chlorophenyl)-1-(cyanomethylamino)-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide InChIKey MZRVIHRERYCHBL-HNNXBMFYSA-N INCHI 1S/C20H24ClN5O2/c1-20(2,3)17-12-16(26(4)25-17)19(28)24-15(18(27)23-9-8-22)11-13-6-5-7-14(21)10-13/h5-7,10,12,15H,9,11H2,1-4H3,(H,23,27)(H,24,28)/t15-/m0/s1 Isómeros SMILES CC(C)(C)C1=NN(C(=C1)C(=O)N[C@@H](CC2=CC(=CC=C2)Cl)C(=O)NCC#N)C PubChem CID 44224135 Peso molecular 401.89
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 Amino acids and derivatives - Alpha amino acids and derivatives Direct Parent Phenylalanine and derivatives Alternative Parents N-acyl-alpha amino acids and derivatives Alpha amino acid amides Amphetamines and derivatives Pyrazole-5-carboxamides 2-heteroaryl carboxamides Chlorobenzenes Aryl chlorides Fatty amides Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Azacyclic compounds Hydrocarbon derivatives Organochlorides Organic oxides Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Fatty amide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Pyrazole - Azole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. 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) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad DMSO 80 mg/mL Water <1 mg/mL Ethanol 50 mg/mL Peso molecular 401.900 g/mol XLogP3 3.300 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 7 Exact Mass 401.162 Da Monoisotopic Mass 401.162 Da Topological Polar Surface Area 99.800 Ų Heavy Atom Count 28 Formal Charge 0 Complexity 611.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 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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