Synonyms

Atiprimod dihydrochloride (USAN) | Atiprimod dihydrochloride [USAN] | SKF 1006615-A2 | Atiprimoddihydrochloride | Atiprimod dihydrochloride | D03003 | N,N-Diethyl-8,8-dipropyl-2-azaspiro[4.5]decane-2-propanamine dihydrochloride | UNII-O12I24570R | DTXSID2

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

Atiprimod dihydrochloride (USAN) | Atiprimod dihydrochloride [USAN] | SKF 1006615-A2 | Atiprimoddihydrochloride | Atiprimod dihydrochloride | D03003 | N, N-Diethyl-8, 8-dipropyl-2-azaspiro[4.5]decane-2-propanamine dihydrochloride | UNII-O12I24570R | DTXSID2

Mecanismos bioquímicos y fisiológicos

JAK2 inhibitor (IC50= 397 nM). Also inhibits STAT3 and STAT5 phosphorylation. Inhibits cell growth and induces apoptosis in cells expressing the JAK2V617Fmutation.

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Nombres e identificadores

• Sonrisas canónicas: CCCC1(CCC2(CC1)CCN(C2)CCCN(CC)CC)CCC.Cl.Cl
• IUPAC Name: 3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)-N,N-diethylpropan-1-amine;dihydrochloride
• InChIKey: MOUZYBYTICOTFQ-UHFFFAOYSA-N
• INCHI: 1S/C22H44N2.2ClH/c1-5-10-21(11-6-2)12-14-22(15-13-21)16-19-24(20-22)18-9-17-23(7-3)8-4;;/h5-20H2,1-4H3;2*1H
• Isómeros SMILES: CCCC1(CCC2(CC1)CCN(C2)CCCN(CC)CC)CCC.Cl.Cl
• PubChem CID: 166556
• Peso molecular: 409.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azaspirodecane derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azaspirodecane derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azaspirodecane derivatives
• Alternative Parents: N-alkylpyrrolidines Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Azaspirodecane - N-alkylpyrrolidine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom.
• 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 (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:water, Max Conc. mg/mL: 20.48, Max Conc. mM: 50; Solvent:DMSO, Max Conc. mg/mL: 4.1, Max Conc. mM: 10 with gentle warming
• Peso molecular: 409.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 408.304 Da
• Monoisotopic Mass: 408.304 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 332.000
• 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