6,7-dimethoxy-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinazolin-4-amine hydrochloride

• ChemBase编号: 121394
• 分子式: C19H26ClN5O4
• 平均质量: 423.89384
• 单一同位素质量: 423.16733202
• SMILES: c1(nc(c2c(n1)cc(c(c2)OC)OC)N)N1CCN(C(=O)C2OCCC2)CC1.Cl
• Canonical SMILES: COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)C1CCCO1.Cl
• InChI: InChI=1S/C19H25N5O4.ClH/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14;/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22);1H
• InChIKey: IWSWDOUXSCRCKW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6,7-dimethoxy-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinazolin-4-amine hydrochloride
• IUPAC传统名: terazosin hydrochloride
• 别名: 6,7-dimethoxy-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinazolin-4-amine hydrochloride; (4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl)(tetrahydrofuran-2-yl)methanone hydrochloride; 1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-[(tetrahydro-2-furanyl)carbonyl]piperazine hydrochloride; Terazosin hydrochloride; 1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-[(tetrahydro-2-furanyl)carbonxyl]piperazine Hydrochloride; Terazosin Hydrochloride

登记号

• CAS号: 63590-64-7
• MDL号: MFCD00467965
• PubChem SID: 162215747; 24278740
• PubChem CID: 44383

理论计算性质

• Acid pKa: 19.929197
• 质子受体: 8
• 质子供体: 1
• LogD (pH = 5.5): -0.32373834
• LogD (pH = 7.4): 0.95433736
• Log P: 1.1797276
• 摩尔折射率: 105.1764 cm^3
• 极化性: 40.394585 Å^3
• 极化表面积: 103.04 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; ethanol: soluble4 mg/mL; H2O: soluble25 mg/mL; Water
• 外观: white to off-white powder; White to Off-White Solid
• 熔点: 261-263°C
• 疏水性(logP): 2.182

安全信息

• 保存条件: -20°C Freezer
• RTECS编号: TK8044925
• 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
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

药理学性质

• 相关基因信息: human ... ADRA1A(148), ADRA1B(147), ADRA1D(146)

产品相关信息

• 纯度: ≥98% (TLC); 95%
• 成盐信息: HCl

详细说明

Sigma Aldrich - T4680

Biochem/physiol Actions
α1-adrenoceptor antagonist.

Toronto Research Chemicals - T105000

An α-1-adrenergicblocker related to prazosin.

参考文献

• Patterson, S.E., et al.: J. Chromatog., 311, 206 (1984)
• Fort, F.L., et al.: Drug Chem. Toxicol., 7, 435 (1984)
• Lepor, H., et al.: J. Urol., 148, 1467 (1984)