[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)ethyl]dimethylamine hydrochloride

• ChemBase ID: 154359
• Molecular Formular: C12H18ClNO3
• Molecular Mass: 259.72922
• Monoisotopic Mass: 259.09752112
• SMILES: CN(C)CCOc1ccc2c(c1)OCCO2.Cl
• Canonical SMILES: CN(CCOc1ccc2c(c1)OCCO2)C.Cl
• InChI: InChI=1S/C12H17NO3.ClH/c1-13(2)5-6-14-10-3-4-11-12(9-10)16-8-7-15-11;/h3-4,9H,5-8H2,1-2H3;1H
• InChIKey: VRCSNYKNBODDIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)ethyl]dimethylamine hydrochloride
• IUPAC Traditional name: [2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)ethyl]dimethylamine hydrochloride
• Synonyms: p30

Database IDs

• MDL Number: MFCD01727216
• PubChem SID: 162248498
• PubChem CID: 71311847

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.7281688
• LogD (pH = 7.4): -0.046478506
• Log P: 1.3473516
• Molar Refractivity: 61.4977 cm^3
• Polarizability: 24.205555 Å^3
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: B
• German water hazard class: 1
• Safety Statements: 23-24/25
• Storage Temperature: -20°C

DETAILS

Sigma Aldrich - P1246

Preparation Note
Expressed as a GST fusion protein.
Unit Definition
One unit will incorporate 1 picomole of phosphate into histone H1 peptide per minute at pH 7.2 at 30 °C.
Physical form
p30 is supplied in a solution of 25 mM Tris, pH 7.4, 1 mM DTT, and 30% glycerol. (0.5 μg protein/ 25 ul vial)
Application
p30 is an endogenous truncated form of p39 that associates with Cdk5 to form Nclk, which regulates neurotransmission, axon guidance, central nervous system (CNS) architecture, and pathogenesis. Therefore, p30 is useful in studying neurodegenerative diseases such as Alzheimer’s, Amyotrophic Lateral Sclerosis, and Parkinson’s Disease.
Biochem/physiol Actions
P30 activates GST-Neuronal cyclin-dependent kinase 5 (Cdk5). It also associates with Cdk5 to form an activated neuronal Cdc2-like kinase (Nclk). Product P1246 is recombinant, from bovine and is expressed in E. coli.