2-{[3-(dioctadecylamino)propyl](2-hydroxyethyl)amino}ethan-1-ol

• ChemBase ID: 154694
• Molecular Formular: C43H90N2O2
• Molecular Mass: 667.1869
• Monoisotopic Mass: 666.70023013
• SMILES: CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CCCN(CCO)CCO
• Canonical SMILES: CCCCCCCCCCCCCCCCCCN(CCCN(CCO)CCO)CCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C43H90N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-44(38-35-39-45(40-42-46)41-43-47)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h46-47H,3-43H2,1-2H3
• InChIKey: WXNRAKRZUCLRBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[3-(dioctadecylamino)propyl](2-hydroxyethyl)amino}ethan-1-ol
• IUPAC Traditional name: avridine
• Synonyms: 2,2'-[[3-(Dioctadecylamino)propyl]imino]bisethanol; CP-20961; N,N-Dioctadecyl-N',N'-bis(2-hydroxyethyl)-1,3-diaminopropane; N,N-Dioctadecyl-N',N'-bis(2-hydroxyethyl)propanediamine; Avridine; CP 20961; N,N-Dioctadecyl-N′,N′-bis(2-hydroxyethyl)-1,3-diaminopropane; N,N-Dioctadecyl-N′,N′-bis(2-hydroxyethyl)propanediamine; Avridine

Database IDs

• CAS Number: 35607-20-6
• MDL Number: MFCD00673242
• PubChem SID: 162248832
• PubChem CID: 37186

CALCULATED PROPERTIES

• Acid pKa: 15.291965
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 8.65372
• LogD (pH = 7.4): 10.586999
• Log P: 13.98429
• Molar Refractivity: 212.0324 cm^3
• Polarizability: 84.33323 Å^3
• Polar Surface Area: 46.94 Å^2
• Rotatable Bonds: 42
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: DMSO: ≥5 mg/mL (with warming to 60 °C for 5 minutes)
• Apperance: Off-White to Pale Yellow Solid; white to off-white powder
• Melting Point: 39-40°C

Safety Information

• Storage Condition: Refrigerator
• RTECS: KK7243000
• German water hazard class: 3
• Storage Temperature: room temp

Product Information

• Purity: ≥97% (HPLC)
• Empirical Formula (Hill Notation): C43H90N2O2

DETAILS

Sigma Aldrich - PZ0123

Biochem/physiol Actions
Avridine is a potent synthetic adjuvant that can induce arthritis in most rat strains; immunomodulator and interferon-inducing.
Legal Information
Sold for research purposes under agreement from Pfizer Inc.

Toronto Research Chemicals - A794695

A potent synthetic non-immunogenic adjuvant that can induce arthritis in most rat strains; immunomodulator and interferon-inducing.

REFERENCES

• Niblack, J.F. et al.: J. Reticuloendo. Soc. 26, 655 (1974)
• Chang, Y. et al.: Arthirit. Rehumat., 23, 62 (1974)
• Vingsbo, C. et al.: Clin. Exp. Immunol., 99, 359 (1974)
• Holmdahl, R. et al.: Immunol. Rev., 184, 184 (1974)