BMS 688521 - ≥98%(HPLC) , CAS No.893397-44-9

CAS: 893397-44-9 Cat. No.: B287021 Peso molecular: 536.37 PubChem CID: 11699447
Disponible para pedir
GRADE & PURITY ≥98%(HPLC)
Synonyms
HY-10596 | 6-[(5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4,4]non-7-yl]-3-pyridinecarboxylic acid | KE-0042 | UNII-N4LDS4H73C | 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazasp
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
B287021-1mg
3
359,90US$
5mg
B287021-5mg
3
1.199,90US$
10mg
B287021-10mg
3
1.679,90US$
25mg
B287021-25mg
3
2.399,90US$
50mg
B287021-50mg
2
3.399,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
HY-10596 | 6-[(5S, 9R)-9-(4-Cyanophenyl)-3-(3, 5-dichlorophenyl)-1-methyl-2, 4-dioxo-1, 3, 7-triazaspiro[4, 4]non-7-yl]-3-pyridinecarboxylic acid | KE-0042 | UNII-N4LDS4H73C | 6-[(5S, 9R)-9-(4-cyanophenyl)-3-(3, 5-dichlorophenyl)-1-methyl-2, 4-dioxo-1, 3, 7-triazasp
Especificaciones y pureza
≥98%(HPLC)
Mecanismos bioquímicos y fisiológicos
Potent inhibitor of the LFA-1/ICAM-1 interaction (IC50values are 2.5 and 78 nM in HUVEC adhesion and mouse specific adhesion assays respectively). Inhibits eosinophil accumulation in the lungs in a mouse allergic eosinophilic lung inflammation model.
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.
Tipo de acción
INHIBITOR
Pureza
≥98%(HPLC)
Nombres e identificadores
Sonrisas canónicasCN1C(=O)N(C(=O)C12CN(CC2C3=CC=C(C=C3)C#N)C4=NC=C(C=C4)C(=O)O)C5=CC(=CC(=C5)Cl)Cl
IUPAC Name6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl]pyridine-3-carboxylic acid
InChIKeyLILGMDXLRPEBNH-HFZDXXHNSA-N
INCHI1S/C26H19Cl2N5O4/c1-31-25(37)33(20-9-18(27)8-19(28)10-20)24(36)26(31)14-32(22-7-6-17(12-30-22)23(34)35)13-21(26)16-4-2-15(11-29)3-5-16/h2-10,12,21H,13-14H2,1H3,(H,34,35)/t21-,26+/m0/s1
Isómeros SMILES CN1C(=O)N(C(=O)[C@]12CN(C[C@H]2C3=CC=C(C=C3)C#N)C4=NC=C(C=C4)C(=O)O)C5=CC(=CC(=C5)Cl)Cl
PubChem CID 11699447
Peso molecular 536.37

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

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseAzolidines
SubclassImidazolidines
Intermediate Tree Nodes Imidazolidinones - Imidazolidinediones - Hydantoins
Direct ParentPhenylhydantoins
Alternative Parents Phenylpyrrolidines  Phenylimidazolidines  Alpha amino acids and derivatives  Pyridinecarboxylic acids  Benzonitriles  Dialkylarylamines  Dichlorobenzenes  N-acyl ureas  Aminopyridines and derivatives  Imidolactams  Aryl chlorides  Heteroaromatic compounds  Dicarboximides  Pyrroles  Nitriles  Monocarboxylic acids and derivatives  Azacyclic compounds  Carboxylic acids  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organochlorides  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 3-phenylhydantoin - Phenylimidazolidine - 3-phenylpyrrolidine - Alpha-amino acid or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Benzonitrile - 1,3-dichlorobenzene - Dialkylarylamine - Aminopyridine - Chlorobenzene - Halobenzene - N-acyl urea - Ureide - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Imidolactam - Benzenoid - Pyridine - Pyrrolidine - Dicarboximide - Heteroaromatic compound - Pyrrole - Urea - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Nitrile - Monocarboxylic acid or derivatives - Azacycle - Carbonitrile - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as phenylhydantoins. These are heterocyclic aromatic compounds containing an imiazolidinedione moiety substituted by a phenyl group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ITGAL Tclin Integrin alpha-L (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ITGAL Tclin Leukocyte adhesion glycoprotein LFA-1 alpha (170 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ITGB1 Tclin Integrin alpha-4/beta-1 (2269 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ITGB3 Tclin Integrin alpha-2/beta-3 (21 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Itgam Integrin alpha M (16 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Serum (58 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Itgal Integrin alpha-L (31 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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.

11 results found

Lot NumberCertificate TypeFechaArticulo
E2626092Certificate of AnalysisMar 19, 2024 B287021
F2429097Certificate of AnalysisMar 19, 2024 B287021
F2429098Certificate of AnalysisMar 19, 2024 B287021
F2429100Certificate of AnalysisMar 19, 2024 B287021
F2429101Certificate of AnalysisMar 19, 2024 B287021
F2429102Certificate of AnalysisMar 19, 2024 B287021
F2429103Certificate of AnalysisMar 19, 2024 B287021
F2429104Certificate of AnalysisMar 19, 2024 B287021
F2429105Certificate of AnalysisMar 19, 2024 B287021
F2429109Certificate of AnalysisMar 19, 2024 B287021
F2429110Certificate of AnalysisMar 19, 2024 B287021

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Propiedades químicas y físicas
SolubilidadSolvent:DMSO, Max Conc. mg/mL: 53.64, Max Conc. mM: 100
Peso molecular536.400 g/mol
XLogP33.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass535.081 Da
Monoisotopic Mass535.081 Da
Topological Polar Surface Area118.000 Ų
Heavy Atom Count37
Formal Charge0
Complexity971.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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