6,7-bis(2-methoxyethoxy)-3,4-dihydroquinazolin-4-one

• ChemBase编号: 154607
• 分子式: C14H18N2O5
• 平均质量: 294.30312
• 单一同位素质量: 294.12157169
• SMILES: COCCOc1cc2c(cc1OCCOC)nc[nH]c2=O
• Canonical SMILES: COCCOc1cc2c(cc1OCCOC)nc[nH]c2=O
• InChI: InChI=1S/C14H18N2O5/c1-18-3-5-20-12-7-10-11(15-9-16-14(10)17)8-13(12)21-6-4-19-2/h7-9H,3-6H2,1-2H3,(H,15,16,17)
• InChIKey: PMQWTUWLIGJTQD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6,7-bis(2-methoxyethoxy)-3,4-dihydroquinazolin-4-one
• IUPAC传统名: 6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one
• 别名: 6,7-Bis(2-methoxyethoxy)quinazolin-4(3H)-one; 6,7-Bis(2-methoxyethoxy)-3,4-dihydroquinazolin-4-one; 6,7-Bis(2-methoxyethoxy)-4(3H)-quinazolinone; PF-00520893; CP-380736; 6,7-Bis-(2-methoxyethoxy)-4(3H)-quinazolinone

登记号

• CAS号: 179688-29-0
• MDL号: MFCD02678087
• PubChem SID: 162248745
• PubChem CID: 2809007

理论计算性质

• Acid pKa: 10.232329
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 0.31415775
• LogD (pH = 7.4): 0.31490576
• Log P: 0.31544825
• 摩尔折射率: 77.9128 cm^3
• 极化性: 28.857777 Å^3
• 极化表面积: 78.38 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO: ≥10 mg/mL
• 外观: off-white to light tan powder

安全信息

• 德国WGK号: 3
• 保存温度: room temp

产品相关信息

• 纯度: ≥98% (HPLC); 95+%; 98%
• Empirical Formula (Hill Notation): C14H18N2O5

详细说明

Sigma Aldrich - PZ0129

Legal Information
Sold for research purposes under agreement from Pfizer Inc.
Biochem/physiol Actions
CP-380736 is an inhibitor of the epidermal growth factor receptor (EGFR). EGFR is a tyrosine kinase that activates MAPK, JNK, and Akt pathways, and is an important mediator of several types of cancer, including lung cancer and glioblastoma multiforme.