D 159687 - ≥98% , CAS No.1155877-97-6

CAS: 1155877-97-6 Cat. No.: D412129 Peso molecular: 366.8

GRADE & PURITY ≥98%

Synonyms

RJJLUTWHJUDZFP-UHFFFAOYSA-N | [4-(3'-chloro-6-methoxy-biphenyl-3-ylmethyl)-phenyl]-urea | Q27260456 | SCHEMBL3466522 | HY-15444 | UNII-4T436CO8BT | BS-14366 | Urea, N-(4-((3'-chloro-6-methoxy(1,1'-biphenyl)-3-yl)methyl)phenyl)- | D159687 | D-159687 | Urea

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

D159687 is a selective PDE4D inhibitor. D159687 has a procognitive profile as it improved memory in the novel object recognition test but no antidepressant or anxiolytic benefit.

Specifications

Sinónimos

RJJLUTWHJUDZFP-UHFFFAOYSA-N | [4-(3'-chloro-6-methoxy-biphenyl-3-ylmethyl)-phenyl]-urea | Q27260456 | SCHEMBL3466522 | HY-15444 | UNII-4T436CO8BT | BS-14366 | Urea, N-(4-((3'-chloro-6-methoxy(1, 1'-biphenyl)-3-yl)methyl)phenyl)- | D159687 | D-159687 | Urea

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

D159687 is a selective PDE4D inhibitor. D159687 has a procognitive profile as it improved memory in the novel object recognition test but no antidepressant or anxiolytic benefit. D159687 is a brain-penetrant, orally available, highly potent and selective

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%

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=C(C=C1)CC2=CC=C(C=C2)NC(=O)N)C3=CC(=CC=C3)Cl
• IUPAC Name: [4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]urea
• InChIKey: RJJLUTWHJUDZFP-UHFFFAOYSA-N
• INCHI: 1S/C21H19ClN2O2/c1-26-20-10-7-15(12-19(20)16-3-2-4-17(22)13-16)11-14-5-8-18(9-6-14)24-21(23)25/h2-10,12-13H,11H2,1H3,(H3,23,24,25)
• Isómeros SMILES: COC1=C(C=C(C=C1)CC2=CC=C(C=C2)NC(=O)N)C3=CC(=CC=C3)Cl
• Peso molecular: 366.8
• Reaxy-Rn: 19131072
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19131072&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Chlorinated biphenyls N-phenylureas Phenoxy compounds Methoxybenzenes Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Ureas Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorinated biphenyl - Diphenylmethane - Biphenyl - N-phenylurea - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Urea - Ether - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Objetivos asociados (humanos)

PDE4D Tclin cAMP-specific 3',5'-cyclic phosphodiesterase 4D (1 Activities)

Discover Target: PDE4D

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

Objetivos asociados (no humanos)

Pde4d Phosphodiesterase 4D (4 Activities)

Discover Target: Pde4d

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO: 2 mg/mL, clear (Warmed)
• Peso molecular: 366.800 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 366.114 Da
• Monoisotopic Mass: 366.114 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 453.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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