VP3.15 dihydrobromide - ≥98% , CAS No.1281681-33-1

CAS: 1281681-33-1 Cat. No.: V412340 Formula: C₂₀H₂₄Br₂N₄OS Peso molecolare: 528.30 PubChem CID: 57326492

QUALITÀ & PUREZZA ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifiche

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

VP3.15 dihydrobromide is a potent, orally bioavailable and CNS-penetrant dual inhibitor of phosphodiesterase (PDE)7 and glycogen synthase kinase (GSK)3 with IC50 of 1.59 μM and 0.88 μM for PDE7 and GSK-3, respectively. VP3.15 dihydrobromide has neuroprote

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

528767646

Sorrisi canonici

C1COCCN1CCN=C2N=C(N(S2)C3=CC=CC=C3)C4=CC=CC=C4.Br.Br

IUPAC Name

N-(2-morpholin-4-ylethyl)-2,3-diphenyl-1,2,4-thiadiazol-5-imine;dihydrobromide

InChIKey

CAJZOXQDSKOPBU-UHFFFAOYSA-N

INCHI

1S/C20H22N4OS.2BrH/c1-3-7-17(8-4-1)19-22-20(21-11-12-23-13-15-25-16-14-23)26-24(19)18-9-5-2-6-10-18;;/h1-10H,11-16H2;2*1H

Isomeri SMILES

C1COCCN1CCN=C2N=C(N(S2)C3=CC=CC=C3)C4=CC=CC=C4.Br.Br

PubChem CID

57326492

Peso molecolare

528.30

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholines
• Alternative Parents: Benzene and substituted derivatives Thiadiazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Morpholine - Benzenoid - Azole - Heteroaromatic compound - Thiadiazole - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Amine - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrobromide - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
• 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Peso molecolare: 528.300 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 528.002 Da
• Monoisotopic Mass: 526.004 Da
• Topological Polar Surface Area: 65.700 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 506.000
• 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: 3

XLogP3