3-amino-N-carbamimidoyl-6-chloro-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide

• ChemBase编号: 105650
• 分子式: C11H18ClN7O
• 平均质量: 299.75992
• 单一同位素质量: 299.12613591
• SMILES: CCN(C(C)C)c1nc(N)c(nc1Cl)C(=O)NC(=N)N
• Canonical SMILES: CCN(c1nc(N)c(nc1Cl)C(=O)NC(=N)N)C(C)C
• InChI: InChI=1S/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)
• InChIKey: QDERNBXNXJCIQK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-amino-N-carbamimidoyl-6-chloro-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide
• IUPAC传统名: 3-amino-N-carbamimidoyl-6-chloro-5-[ethyl(isopropyl)amino]pyrazine-2-carboxamide
• 别名: 5-(N-Ethyl-N-isopropyl)amiloride; EIPA; 5-(N-ETHYL-N-ISOPROPYL) AMILORIDE

登记号

• CAS号: 1154-25-2
• MDL号: MFCD00151710
• PubChem SID: 24278223; 162092157
• PubChem CID: 1795

理论计算性质

• Acid pKa: 11.389303
• 质子受体: 7
• 质子供体: 4
• LogD (pH = 5.5): 1.4073781
• LogD (pH = 7.4): 1.5691769
• Log P: 1.5717282
• 摩尔折射率: 90.8254 cm^3
• 极化性: 28.637655 Å^3
• 极化表面积: 134.01 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

• 熔点: 202-205 °C(lit.)

安全信息

• 保存条件: 2-8°C
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-37/39
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

药理学性质

• 相关基因信息: human ... SCNN1A(6337), SCNN1B(6338), SCNN1D(6339), SCNN1G(6340), SLC9A1(6548), SLC9A5(6553)mouse ... Scnn1a(20276), Scnn1b(20277), Scnn1d(140501), Scnn1g(20278)rat ... Scnn1a(25122), Scnn1b(24767), Scnn1g(24768), Slc9a1(24782), Slc9a2(24783), Slc9a3(24784), Slc9a4(24785)

详细说明

MP Biomedicals - 02193653

Inhibitor of the Na^+ /H^+ antiporter.

Sigma Aldrich - A3085

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Biochem/physiol Actions
Selective blocker of Na+/H+ antiport

参考文献

• Neylon, et al., J. Pharmacol. Exp. Ther. , 248 : 991 (1989).