D 159687 - ≥98% , CAS No.1155877-97-6

CAS: 1155877-97-6 Cat. No.: D412129 Formula: C₂₁H₁₉ClN₂O₂ Peso molecolare: 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 528763964
• Sorrisi canonici: 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)
• Isomeri SMILES: COC1=C(C=C(C=C1)CC2=CC=C(C=C2)NC(=O)N)C3=CC(=CC=C3)Cl
• Peso molecolare: 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
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

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)

Obiettivi associati (non umani)

Pde4d Phosphodiesterase 4D (4 Activities)

Discover Target: Pde4d

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO: 2 mg/mL, clear (Warmed)
• Peso molecolare: 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