(S)-C33 - ≥98%(HPLC) , CAS No.2066488-39-7

CAS: 2066488-39-7 Cat. No.: S288465 Summenformel: C₁₈H₂₀ClN₅O Molekulargewicht: 357.84 PubChem CID: 135567003

GRADE & PURITY ≥98%(HPLC)

Synonyms

PDE9 IN (S) C33 | PDE9IN(S)C33 | PDE9-IN-(S)-C33 | 6-[[(1S)-1-(4-Chlorophenyl)ethyl]amino]-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

PDE9 IN (S) C33 | PDE9IN(S)C33 | PDE9-IN-(S)-C33 | 6-[[(1S)-1-(4-Chlorophenyl)ethyl]amino]-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

Potent PDE9 inhibitor (IC50= 11 nM).

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Pubchem Sid: 528753407
• Kanonisches Lächeln: CC(C1=CC=C(C=C1)Cl)NC2=NC3=C(C=NN3C4CCCC4)C(=O)N2
• IUPAC Name: 6-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
• InChIKey: FIUCLBJMUGCQTF-NSHDSACASA-N
• INCHI: 1S/C18H20ClN5O/c1-11(12-6-8-13(19)9-7-12)21-18-22-16-15(17(25)23-18)10-20-24(16)14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H2,21,22,23,25)/t11-/m0/s1
• PubChem CID: 135567003
• Molekulargewicht: 357.84

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyrazolopyrimidines
      • Subclass Pyrazolo[3,4-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyrazolopyrimidines
• Subclass: Pyrazolo[3,4-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolo[3,4-d]pyrimidines
• Alternative Parents: Hydroxypyrimidines Chlorobenzenes Aryl chlorides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolo[3,4-d]pyrimidine - Hydroxypyrimidine - Halobenzene - Chlorobenzene - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyrazolo[3,4-d]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to but and not sharing a nitrogen atom with a pyrimidine ring.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 35.78, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 35.78, Max Conc. mM: 100
• Molekulargewicht: 357.800 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 357.136 Da
• Monoisotopic Mass: 357.136 Da
• Topological Polar Surface Area: 71.300 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 528.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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