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

• ChemBase编号: 154694
• 分子式: C43H90N2O2
• 平均质量: 667.1869
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 2-{[3-(dioctadecylamino)propyl](2-hydroxyethyl)amino}ethan-1-ol
• IUPAC传统名: avridine
• 别名: 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

登记号

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

理论计算性质

• Acid pKa: 15.291965
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 8.65372
• LogD (pH = 7.4): 10.586999
• Log P: 13.98429
• 摩尔折射率: 212.0324 cm^3
• 极化性: 84.33323 Å^3
• 极化表面积: 46.94 Å^2
• 可自由旋转的化学键: 42
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMSO: ≥5 mg/mL (with warming to 60 °C for 5 minutes)
• 外观: Off-White to Pale Yellow Solid; white to off-white powder
• 熔点: 39-40°C

安全信息

• 保存条件: Refrigerator
• RTECS编号: KK7243000
• 德国WGK号: 3
• 保存温度: room temp

产品相关信息

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

详细说明

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.

参考文献

• 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)