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MRL-1237

CAT: 0804-HY-124598Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-124598Size:1 Each
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Description
MRL-1237 is an inhibitor of the replication of several enteroviruses targeting the non-structural protein 2C of the virus. MRL-1237 shows effective inhibition against poliovirus and various other enteroviruses. MRL-1237 does not inhibit the NTPase (ATPase) activity of 2C protein. MRL-1237 can be used for the research of infection[1].
CAS Number
276704-21-3
UNSPSC
12352005
Target
Enterovirus
Related Pathways
Anti-infection
Field of Research
Infection
Smiles
N=C1C=CN(CC2=NC3=CC=CC=C3N2C4=CC=C(F)C=C4)C=C1.Cl
Molecular Formula
C19H16ClFN4
Molecular Weight
354.81
References & Citations
[1]De Palma AM, et al. The thiazolobenzimidazole TBZE-029 inhibits enterovirus replication by targeting a short region immediately downstream from motif C in the nonstructural protein 2C. J Virol. 2008 May;82 (10) :4720-30.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Mrl-1237

structure in first source

CAS Number276704-21-3
PubChem CID10316147
IUPAC Name1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]pyridin-4-imine;hydrochloride
Molecular FormulaC19H16ClFN4
Molecular Weight354.8
Topological Polar Surface Area44.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity507
SMILES
C1=CC=C2C(=C1)N=C(N2C3=CC=C(C=C3)F)CN4C=CC(=N)C=C4.Cl
InChI
InChI=1S/C19H15FN4.ClH/c20-14-5-7-16(8-6-14)24-18-4-2-1-3-17(18)22-19(24)13-23-11-9-15(21)10-12-23;/h1-12,21H,13H2;1H
InChIKey
OQLKNESERKFJAI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mrl-1237
CAS: 276704-21-3
CID: 10316147
Formula: C19H16ClFN4
MW: 354.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass354.1047524
Monoisotopic Mass354.1047524
Topological Polar Surface Area44.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity507
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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