2-[4-(furan-2-carbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine hydrochloride

• ChemBase编号: 122734
• 分子式: C19H22ClN5O4
• 平均质量: 419.86208
• 单一同位素质量: 419.13603189
• 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/C19H21N5O4.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;/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22);1H
• InChIKey: WFXFYZULCQKPIP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[4-(furan-2-carbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine hydrochloride
• IUPAC传统名: 2-[4-(furan-2-carbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine hydrochloride; prazosin hydrochloride
• 别名: 1-(4-氨基-6,7-二甲氧基-2-喹唑啉基)-4-(2-呋喃甲酰基)哌嗪 盐酸盐; 脉宁平 盐酸盐; 哌唑嗪 盐酸盐; 1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furanylcarbonyl)piperazine hydrochloride; Furazosin hydrochloride; Prazosin hydrochloride; [4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-2-furanylmethanone Hydrochloride; 1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furanylcarbonxyl)piperazine Hydrochloride; Adversuten; Adverszuten; Alpress LP; Furazosin; Lentopres; NSC 292810; Peripress; Prazosin Hydrochloride; (4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl)(furan-2-yl)methanone hydrochloride; Minipress; Vasoflex; Pressin and Hypovase; Prazosin HCl

登记号

• CAS号: 19237-84-4
• EC号: 242-903-4
• MDL号: MFCD00058177
• Beilstein号: 4303561
• PubChem SID: 24277793; 162217087
• PubChem CID: 68546

理论计算性质

• 质子受体: 7
• 质子供体: 1
• LogD (pH = 5.5): 0.14705259
• LogD (pH = 7.4): 1.4251277
• Log P: 1.6505165
• 摩尔折射率: 104.4981 cm^3
• 极化性: 39.320244 Å^3
• 极化表面积: 106.95 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: dilute aqueous acid: insoluble; DMSO; H2O: soluble0.5 mg/mL; H2O: soluble1 mg/mL, clear, colorless; Methanol; methanol: soluble6 mg/mL
• 外观: white; White Solid
• 熔点: 276-278°C; 277-280 °C

安全信息

• 保存条件: -20°C Freezer
• RTECS编号: VA1350000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-36/37/38-62
• 安全公开号: 28-36
• GHS危险品标识: GHS07; GHS08
• GHS警示词: Warning
• GHS危险声明: H302-H315-H319-H335-H361
• GHS警示性声明: P261-P281-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

药理学性质

• 作用靶点: Others
• 相关基因信息: human ... ADRA1A(148), ADRA1B(147), ADRA1D(146)
• 生物活性机理: Alpha 2B -Adrenoceptor antagonist,; Melatonin MT 3 -receptor antagonist

产品相关信息

• 纯度: ≥99% (TLC); ≥99.0% (TLC)
• 成盐信息: Free Base; HCl
• 杂质: ≤1% water
• 应用领域: Antihypertensive agent
• Empirical Formula (Hill Notation): C19H21N5O4 · HCl

详细说明

Sigma Aldrich - P115

Biochem/physiol Actions
α1- 和 α2Β-肾上腺素受体拮抗剂；MT3 褪黑激素受体拮抗剂。
General description
吸湿、光敏

Sigma Aldrich - P7791

Biochem/physiol Actions
Peripheral α1-adrenoceptor antagonist; vasodilator.
Caution
Hygroscopic; light sensitive.

Sigma Aldrich - 81515

Other Notes
An α1-adrenergic receptor antagonist. Suppresses experimental autoimmune encephalomyelitis in the Lewis rat1

Toronto Research Chemicals - P702325

An antihypertensive. α1-Adrenergic blocker.

参考文献

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• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, AJP000; FPP100