lenrispodun - Moligand™ , Inhibitor of phosphodiesterase 1B;Inhibitor of phosphodiesterase 4A, CAS No.1160521-50-5, Inhibitor of phosphodiesterase 1B;Inhibitor of phosphodiesterase 4A

CAS: 1160521-50-5 Cat. No.: L611485 PubChem CID: 42639643

GRADE & PURITY Moligand™

Synonyms

Lenrispodun | BDBM50150119 | Q27454893 | BCP16186 | TRIETHYLENE GLYCOL 2-ETHYLHEXANOIC ACID DIESTER (1:2) | 1160521-50-5 | BENZYL HYDROXYBENZOATE [MART.] | (11R,15S)-5-anilino-4-[[4-(6-fluoropyridin-2-yl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracycl

Storage

Room temperature

Specifications

Sinonimi

Lenrispodun | BDBM50150119 | Q27454893 | BCP16186 | TRIETHYLENE GLYCOL 2-ETHYLHEXANOIC ACID DIESTER (1:2) | 1160521-50-5 | BENZYL HYDROXYBENZOATE [MART.] | (11R,15S)-5-anilino-4-[[4-(6-fluoropyridin-2-yl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracycl

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

INHIBITOR

Meccanismo d'azione

Inhibitor of phosphodiesterase 1B;Inhibitor of phosphodiesterase 4A

Nomi e identificatori

• Sorrisi canonici: CN1C(=O)C2=C(N(N=C2N3C1=NC4C3CCC4)CC5=CC=C(C=C5)C6=NC(=CC=C6)F)NC7=CC=CC=C7
• IUPAC Name: (11R,15S)-5-anilino-4-[[4-(6-fluoropyridin-2-yl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
• InChIKey: BBIPVJCGIASXJB-PKTZIBPZSA-N
• INCHI: 1S/C29H26FN7O/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3/t22-,23+/m1/s1
• Isomeri SMILES: CN1C(=O)C2=C(N(N=C2N3C1=N[C@H]4[C@@H]3CCC4)CC5=CC=C(C=C5)C6=NC(=CC=C6)F)NC7=CC=CC=C7
• CAS alternativo: 1160521-50-5
• PubChem CID: 42639643
• Termini MeSH: 2-(4-(6-fluoropyridin-2-yl)benzyl)-5-methyl-3-(phenylamino)-5,6a,7,8,9,9a-hexahydrocyclopenta(4,5)imidazo(1,2-a)pyrazolo(4,3-e)pyrimidin-4-(2H)-one;ITI-214

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Pyrazolopyrimidines Purines and purine derivatives Aniline and substituted anilines 2-halopyridines Pyrimidines and pyrimidine derivatives Aryl fluorides Imidolactams Vinylogous amides Pyrazoles Imidazolines Heteroaromatic compounds Tertiary amines Amino acids and derivatives Guanidines Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenylpyridine - Purine - Pyrazolopyrimidine - Aniline or substituted anilines - 2-halopyridine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Pyrazole - Vinylogous amide - Azole - 2-imidazoline - Amino acid or derivatives - Tertiary amine - Guanidine - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Secondary amine - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN 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.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

PDE4A Tclin cAMP-specific 3',5'-cyclic phosphodiesterase 4A (1 Activities)

Discover Target: PDE4A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PDE1B Tclin Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (0 Activities)

Discover Target: PDE1B

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

Discover Target: PDE4A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 507.600 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 507.218 Da
• Monoisotopic Mass: 507.218 Da
• Topological Polar Surface Area: 78.700 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 903.000
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1160521-50-5. InChIKey BBIPVJCGIASXJB-PKTZIBPZSA-N.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.