2-N,4-N-dibenzylquinazoline-2,4-diamine

• ChemBase编号: 155026
• 分子式: C22H20N4
• 平均质量: 340.421
• 单一同位素质量: 340.16879666
• SMILES: c1ccc(cc1)CNc1c2ccccc2nc(n1)NCc1ccccc1
• Canonical SMILES: c1ccc(cc1)CNc1nc(NCc2ccccc2)c2c(n1)cccc2
• InChI: InChI=1S/C22H20N4/c1-3-9-17(10-4-1)15-23-21-19-13-7-8-14-20(19)25-22(26-21)24-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H2,23,24,25,26)
• InChIKey: QAIMUUJJAJBPCL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-N,4-N-dibenzylquinazoline-2,4-diamine; N2,N4-dibenzylquinazoline-2,4-diamine
• IUPAC传统名: 2-N,4-N-dibenzylquinazoline-2,4-diamine; N2,N4-dibenzylquinazoline-2,4-diamine
• 别名: JRF 12; N2,N4-dibenzylquinazoline-2,4-diamine; DBeQ; DBeQ

登记号

• CAS号: 177355-84-9
• MDL号: MFCD03691820
• PubChem SID: 162249164
• PubChem CID: 676352

理论计算性质

• Acid pKa: 14.947411
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 4.0161242
• LogD (pH = 7.4): 5.0270767
• Log P: 5.0928087
• 摩尔折射率: 108.6728 cm^3
• 极化性: 41.288555 Å^3
• 极化表面积: 49.84 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMSO: ≥20 mg/mL
• 外观: yellow powder

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-36
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H319
• GHS警示性声明: P305 + P351 + P338
• 保存温度: room temp

药理学性质

• 作用靶点: Others

产品相关信息

• 纯度: ≥98% (HPLC)
• 成盐信息: Free Base
• Empirical Formula (Hill Notation): C22H20N4

详细说明

Sigma Aldrich - SML0031

Frequently Asked Questions
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Biochem/physiol Actions
DBeQ is a potent and specific inhibitor of ATPase p97, an integral component of the ubiquitin-fusion degradation (UFD) pathway. DBeQ inhibits the degradation of ubiquitinated proteins, the endoplasmic reticulum-associated degradation pathway, and autophagosome maturation. The compound also potently inhibits cellular proliferation and induces caspase 3/7 activity and apoptosis.