3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide hydrochloride

• ChemBase编号: 102936
• 分子式: C8H13Cl2N7O
• 平均质量: 294.14112
• 单一同位素质量: 293.05586343
• SMILES: Cl.CN(C)c1nc(N)c(nc1Cl)C(=O)N=C(N)N
• Canonical SMILES: NC(=NC(=O)c1nc(Cl)c(nc1N)N(C)C)N.Cl
• InChI: InChI=1S/C8H12ClN7O.ClH/c1-16(2)6-4(9)13-3(5(10)14-6)7(17)15-8(11)12;/h1-2H3,(H2,10,14)(H4,11,12,15,17);1H
• InChIKey: IIUPTHVVXMBJMQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide hydrochloride
• IUPAC传统名: 3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide hydrochloride
• 别名: 3-氨基-N-(氨基亚氨基乙基)-5-(二甲氨基)-6-氯吡嗪甲酰胺 盐酸盐; 5-(N,N-二甲基)阿米洛利 盐酸盐; 3-Amino-N-(aminoiminoethyl)-5-(dimethylamino)-6-chloropyrazinecarboxamide hydrochloride; DMA; 5-(N,N-DIMETHYL) AMILORIDE HYDROCHLORIDE; 5-(N,N-Dimethyl)amiloride hydrochloride

登记号

• CAS号: 1214-79-5
• MDL号: MFCD00069207
• PubChem SID: 24278216; 162090777
• PubChem CID: 11957442

理论计算性质

• Acid pKa: 16.818312
• 质子受体: 8
• 质子供体: 3
• LogD (pH = 5.5): 0.043918226
• LogD (pH = 7.4): 0.046566825
• Log P: 0.046600696
• 摩尔折射率: 66.4166 cm^3
• 极化性: 23.358753 Å^3
• 极化表面积: 136.51 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: 2-8°C, Protect from light
• 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; 26-36
• 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
• 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)mouse ... Scnn1a(20276), Scnn1b(20277), Scnn1d(140501), Scnn1g(20278)rat ... Scnn1a(25122), Scnn1b(24767), Scnn1g(24768), Slc9a1(24782), Slc9a2(24783), Slc9a3(24784)

详细说明

MP Biomedicals - 02119130

Hydrochloride
Na^+ /H^+ antiporter inhibitor with increased selectivity and potency relative to amiloride. This is a yellow photosensitive solid which needs to be protected from light.

Sigma Aldrich - A4562

Biochem/physiol Actions
Selective blocker of Na+/H+ antiport; IC50 = 6.9 μM.
Application
5-(N,N-Dimethyl)amiloride hydrochloride is a selective blocker of Na2/H+ antiport. 5-(N,N-Dimethyl)amiloride hydrochloride has been investigated for its ability to reduce inflammatory pain.