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DMA-135 hydrochloride

CAT: 0931-T61334Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T61334Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2237925-62-9
Target
Virus Protease
Related Pathways
Microbiology/Virology
Purity
0.9821
Bioactivity
DMA-135 hydrochloride (DMA-135 HCl) Antivirally active compounds that target RNA and inhibit enterovirus type 71 (EV71) IRES-dependent translation and replication.DMA-135 hydrochloride can be used in the study of enteroviral infections.
Smiles
Cl.CN(C)c1nc(N)c(nc1C#Cc1ccccc1)C(=O)NC(N)=N
Molecular Formula
C16H18ClN7O
Molecular Weight
359.81
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

DMA-135 (hydrochloride)
CAS Number2237925-62-9
PubChem CID163196482
IUPAC Name3-amino-N-(diaminomethylidene)-5-(dimethylamino)-6-(2-phenylethynyl)pyrazine-2-carboxamide;hydrochloride
Molecular FormulaC16H18ClN7O
Molecular Weight359.8
Topological Polar Surface Area137
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity537
SMILES
CN(C)C1=C(N=C(C(=N1)N)C(=O)N=C(N)N)C#CC2=CC=CC=C2.Cl
InChI
InChI=1S/C16H17N7O.ClH/c1-23(2)14-11(9-8-10-6-4-3-5-7-10)20-12(13(17)21-14)15(24)22-16(18)19;/h3-7H,1-2H3,(H2,17,21)(H4,18,19,22,24);1H
InChIKey
RBMSZKWMVJWPEP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DMA-135 (hydrochloride)
CAS: 2237925-62-9
CID: 163196482
Formula: C16H18ClN7O
MW: 359.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass359.1261359
Monoisotopic Mass359.1261359
Topological Polar Surface Area137 Ų
Heavy Atom Count25
Formal Charge0
Complexity537
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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