(3S,4R)-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide - Moligand™ , Inhibitor of Protein kinase G (PKG) 2;Inhibitor of protein kinase N2;Inhibitor of Rho associated coiled-coil containing protein kinase 2, CAS , Inhibitor of Protein kinase G (PKG) 2;Inhibitor of protein kinase N2;Inhibitor of Rho associated coiled-coil containing protein kinase 2

CAS: S609112 Cat. No.: S609112 PubChem CID: 46871820
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
compound 32
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5mg
S609112-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
799,90US$
25mg
S609112-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
1.714,90US$
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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
compound 32
Especificaciones y pureza
Moligand™
Condiciones de almacenamiento de almacenamiento
Room temperature
Grado
Moligand™
Tipo de acción
INHIBITOR
Mecanismo de acción
Inhibitor of Protein kinase G (PKG) 2;Inhibitor of protein kinase N2;Inhibitor of Rho associated coiled-coil containing protein kinase 2
Nombres e identificadores
Sonrisas canónicasO=C([C@@H]1CNC[C@H]1c1ccc(cc1)Cl)Nc1cc2cc[nH]c(=O)c2cc1Cl
IUPAC Name(3S,4R)-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
InChIKeyXBFAFSAUQFDEOK-JKSUJKDBSA-N
INCHI1S/C20H17Cl2N3O2/c21-13-3-1-11(2-4-13)15-9-23-10-16(15)20(27)25-18-7-12-5-6-24-19(26)14(12)8-17(18)22/h1-8,15-16,23H,9-10H2,(H,24,26)(H,25,27)/t15-,16+/m0/s1
Isómeros SMILES C1[C@H]([C@@H](CN1)C(=O)NC2=C(C=C3C(=C2)C=CNC3=O)Cl)C4=CC=C(C=C4)Cl
PubChem CID 46871820

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 Isoquinolones and derivatives  Beta amino acids and derivatives  Pyrrolidinecarboxamides  N-arylamides  Pyridinones  Aralkylamines  Chlorobenzenes  Aryl chlorides  Pyrroles  Heteroaromatic compounds  Secondary carboxylic acid amides  Lactams  Azacyclic compounds  Dialkylamines  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organochlorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Isoquinolone - 3-phenylpyrrolidine - Beta amino acid or derivatives - Isoquinoline - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-3-carboxamide - N-arylamide - Pyridinone - Chlorobenzene - Halobenzene - Aralkylamine - Benzenoid - Aryl halide - Aryl chloride - Pyridine - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Lactam - Azacycle - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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 Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CDC42 Tchem Cell division control protein 42 homolog (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ROCK2 Tclin Rho-associated protein kinase 2 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PKN2 Tchem Serine/threonine-protein kinase N2 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PRKG2 Tchem cGMP-dependent protein kinase 2 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PKN2 Tchem Protein kinase N2 (1991 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PRKCE Tchem Protein kinase C epsilon (1520 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PRKG2 Tchem cGMP-dependent protein kinase 2 (1612 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ROCK2 Tclin Rho-associated protein kinase 2 (6206 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDC42 Tchem Cell division control protein 42 homolog (123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver microsomes (16955 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:
Calculadoras de soluciones
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