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

• ChemBase ID: 105650
• Molecular Formular: C11H18ClN7O
• Molecular Mass: 299.75992
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-carbamimidoyl-6-chloro-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide
• IUPAC Traditional name: 3-amino-N-carbamimidoyl-6-chloro-5-[ethyl(isopropyl)amino]pyrazine-2-carboxamide
• Synonyms: 5-(N-Ethyl-N-isopropyl)amiloride; EIPA; 5-(N-ETHYL-N-ISOPROPYL) AMILORIDE

Database IDs

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

CALCULATED PROPERTIES

• Acid pKa: 11.389303
• H Acceptors: 7
• H Donor: 4
• LogD (pH = 5.5): 1.4073781
• LogD (pH = 7.4): 1.5691769
• Log P: 1.5717282
• Molar Refractivity: 90.8254 cm^3
• Polarizability: 28.637655 Å^3
• Polar Surface Area: 134.01 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 202-205 °C(lit.)

Safety Information

• Storage Condition: 2-8°C
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Pharmacology Properties

• Gene Information: 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)

DETAILS

MP Biomedicals - 02193653

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

Sigma Aldrich - A3085

Frequently Asked Questions
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Biochem/physiol Actions
Selective blocker of Na+/H+ antiport

REFERENCES

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