IK-862 - Moligand™ , Inhibitor of ADAM17;Inhibitor of ADAM33, CAS No.I610971, Inhibitor of ADAM17;Inhibitor of ADAM33

CAS: I610971 Cat. No.: I610971 PubChem CID: 6914621
Disponible para pedir
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.
Synonyms
IK 682 | BMCL181958 Compound 1 | CHEBI:40083 | AKOS040748566 | IK862 | IK-862 | (2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | SCHEMBL5966106 | IK682 | IK-682 | GTPL8680 | (2R)-N-hydroxy-2-[
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5mg
I610971-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.142,90US$

1.334,90US$
Guardar 192,00 US$ (14.38%)
25mg
I610971-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.714,90US$

2.000,90US$
Guardar 286,00 US$ (14.29%)
Enter a quantity for the sizes you want to add.
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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

Sinónimos
IK 682 | BMCL181958 Compound 1 | CHEBI:40083 | AKOS040748566 | IK862 | IK-862 | (2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | SCHEMBL5966106 | IK682 | IK-682 | GTPL8680 | (2R)-N-hydroxy-2-[
Especificaciones y pureza
Moligand™
Condiciones de almacenamiento de almacenamiento
Room temperature
Grado
Moligand™
Tipo de acción
INHIBITOR
Mecanismo de acción
Inhibitor of ADAM17;Inhibitor of ADAM33
Nombres e identificadores
Sonrisas canónicasONC(=O)[C@H](N1CC[C@@](C1=O)(C)c1ccc(cc1)OCc1cc(C)nc2c1cccc2)C
IUPAC Name(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide
InChIKeyYDMIPBHQKFOFQW-NSYGIPOTSA-N
INCHI1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1
Isómeros SMILES CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)[C@@]4(CCN(C4=O)[C@H](C)C(=O)NO)C
PubChem CID 6914621

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
ClasePyrrolidines
SubclassPhenylpyrrolidines
Intermediate Tree Nodes Not available
Direct ParentPhenylpyrrolidines
Alternative Parents Quinolines and derivatives  Phenoxy compounds  Phenol ethers  Alkyl aryl ethers  Methylpyridines  Pyrrolidine-2-ones  N-alkylpyrrolidines  Tertiary carboxylic acid amides  Pyrroles  Heteroaromatic compounds  Lactams  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  Carbonyl compounds  Organonitrogen compounds  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 3-phenylpyrrolidine - Quinoline - Phenoxy compound - Phenol ether - Alkyl aryl ether - Methylpyridine - Monocyclic benzene moiety - Pyridine - Pyrrolidone - 2-pyrrolidone - Benzenoid - N-alkylpyrrolidine - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Ether - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors quinolines - hydroxamic acid - pyrrolidin-2-ones
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
MMP7 Tchem Matrilysin (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADAM17 Tchem Disintegrin and metalloproteinase domain-containing protein 17 (8 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADAM33 Tchem Disintegrin and metalloproteinase domain-containing protein 33 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MMP3 Tchem Stromelysin-1 (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MMP8 Tchem Neutrophil collagenase (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MMP15 Tchem Matrix metalloproteinase 15 (49 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MMP16 Tchem Matrix metalloproteinase 16 (81 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MMP8 Tchem Matrix metalloproteinase 8 (1942 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MMP14 Tchem Matrix metalloproteinase 14 (1592 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MMP7 Tchem Matrix metalloproteinase 7 (1073 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADAM33 Tchem Disintegrin and metalloproteinase domain-containing protein 33 (14 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Mmp13 Matrix metalloproteinase 13 (19 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Adam17 ADAM17 (14 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mmp2 Matrix metalloproteinase-2 (12 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mmp9 Matrix metalloproteinase 9 (38 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 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:
Propiedades químicas y físicas
Peso molecular433.500 g/mol
XLogP33.200
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass433.2 Da
Monoisotopic Mass433.2 Da
Topological Polar Surface Area91.800 Ų
Heavy Atom Count32
Formal Charge0
Complexity680.000
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
Reseñas

Reseñas de cliente

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