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MKA031

CAT: 0931-T78716-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T78716-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2951012-00-1
Target
MIF, Others
Related Pathways
Others, Immunology/Inflammation
Bioactivity
MKA031 (compound 6y) is a non-competitive inhibitor of macrophage migration inhibitory factor (MIF) with an IC50 of 1.7 μM. It disrupts the MIF-aryl hydrocarbon receptor interacting protein (AIF) interaction, impedes MIF nuclear translocation, and mitigates N-methyl-N'-nitro-N-nitrosoguanidine (MNNG) -induced cell death. MKA031 is applicable in research on chronic hepatitis C virus infection [1].
Smiles
O=C(NCC=1SC=CC1)C=2N=NN(C2)C3=CC=C(C=C3)C(=O)NC=4C=CC=CC4
Molecular Formula
C21H17N5O2S
Molecular Weight
403.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-[4-(phenylcarbamoyl)phenyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CAS Number2951012-00-1
PubChem CID168475855
IUPAC Name1-[4-(phenylcarbamoyl)phenyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
Molecular FormulaC21H17N5O2S
Molecular Weight403.5
XLogP3
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity563
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C=C(N=N3)C(=O)NCC4=CC=CS4
InChI
InChI=1S/C21H17N5O2S/c27-20(23-16-5-2-1-3-6-16)15-8-10-17(11-9-15)26-14-19(24-25-26)21(28)22-13-18-7-4-12-29-18/h1-12,14H,13H2,(H,22,28)(H,23,27)
InChIKey
WHIYNFCIAFTBMZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[4-(phenylcarbamoyl)phenyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CAS: 2951012-00-1
CID: 168475855
Formula: C21H17N5O2S
MW: 403.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.5
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass403.11029598
Monoisotopic Mass403.11029598
Topological Polar Surface Area117 Ų
Heavy Atom Count29
Formal Charge0
Complexity563
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5820378MKA031

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