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1214-79-5 molecular structure
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3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide hydrochloride

ChemBase ID: 102936
Molecular Formular: C8H13Cl2N7O
Molecular Mass: 294.14112
Monoisotopic Mass: 293.05586343
SMILES and InChIs

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

Cite this record

CBID:102936 http://www.chembase.cn/molecule-102936.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide hydrochloride
IUPAC Traditional name
3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide hydrochloride
Synonyms
3-Amino-N-(aminoiminoethyl)-5-(dimethylamino)-6-chloropyrazinecarboxamide hydrochloride
DMA
5-(N,N-DIMETHYL) AMILORIDE HYDROCHLORIDE
5-(N,N-Dimethyl)amiloride hydrochloride
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
CAS Number
1214-79-5
MDL Number
MFCD00069207
PubChem SID
24278216
162090777
PubChem CID
11957442

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11957442 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.818312  H Acceptors
H Donor LogD (pH = 5.5) 0.043918226 
LogD (pH = 7.4) 0.046566825  Log P 0.046600696 
Molar Refractivity 66.4166 cm3 Polarizability 23.358753 Å3
Polar Surface Area 136.51 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Storage Condition
2-8°C, Protect from light expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
- expand Show data source
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Storage Temperature
2-8°C expand Show data source
Gene Information
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) expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02119130 external link
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 external link
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.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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