4-chloro-6,7-bis(2-methoxyethoxy)quinazoline

• ChemBase编号: 67557
• 分子式: C14H17ClN2O4
• 平均质量: 312.74878
• 单一同位素质量: 312.08768471
• SMILES: n1cnc(c2cc(c(cc12)OCCOC)OCCOC)Cl
• Canonical SMILES: COCCOc1cc2c(cc1OCCOC)ncnc2Cl
• InChI: InChI=1S/C14H17ClN2O4/c1-18-3-5-20-12-7-10-11(16-9-17-14(10)15)8-13(12)21-6-4-19-2/h7-9H,3-6H2,1-2H3
• InChIKey: ZPJLDMNVDPGZIU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-chloro-6,7-bis(2-methoxyethoxy)quinazoline
• IUPAC传统名: 4-chloro-6,7-bis(2-methoxyethoxy)quinazoline
• 别名: 4-Chloro-6,7-bis(2-methoxyethoxy)quinazoline; 4-Chloro-6,7-bis(2-methoxyethoxy)-quinazoline; PF-508367; CP-335963; 4-Chloro-6,7-bis(2-methoxyethoxy)quinazoline; 4-Chloro-6,7-di(2-methoxyethoxy)quinazoline; 6,7-Bis(2-methoxyethoxy)-4-chloroquinazoline; CP-335963

登记号

• CAS号: 183322-18-1
• MDL号: MFCD09751265
• PubChem SID: 162033292
• PubChem CID: 11289942

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 1.8399459
• LogD (pH = 7.4): 1.8399903
• Log P: 1.8399909
• 摩尔折射率: 79.68 cm^3
• 极化性: 31.802452 Å^3
• 极化表面积: 62.7 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: ≥20 mg/mL
• 外观: white to off-white powder

安全信息

• 保存注意事项: IRRITANT
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-41
• 安全公开号: 26-39
• TSCA收录: false
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H302-H318
• GHS警示性声明: P280-P305 + P351 + P338
• 保存温度: room temp

产品相关信息

• 纯度: ≥98% (SDS-PAGE); 95+%
• Empirical Formula (Hill Notation): C14H17ClN2O4

详细说明

Sigma Aldrich - PZ0108

Biochem/physiol Actions
CP-335963 is an aurora 2 kinase inhibitor, PDGF inhibitor, and anti-proliferative.
Legal Information
Sold for research purposes under agreement from Pfizer, Inc.

Toronto Research Chemicals - C781340

CP-335963 is an aurora 2 kinase inhibitor, PDGF inhibitor, useful in the treatment of cancer.

参考文献

• Bedi, P., et al.: Bioorg. Med. Chem. Lett., 14, 5211 (2004)
• Mosaad, S., et al.: J. Biol. Sci., 4, 504, (2004)
• Zheng, Y., et al.: Chem. Biol. Drug Des., 76, 285 (2004)