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MKA031

CAT: 0013-GTR19230984-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230984-03Size:100 mg
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Description
MKA031 (compound 6y) is a 1.7 μM IC50 non-competitive MIF inhibitor that disrupts the MIF-AIP interaction and blocks MIF nuclear translocation. It protects against MNNG-induced cytotoxicity and serves as a research tool for studying MIF's role in pathologies such as chronic hepatitis C virus infection.
CAS Number
2951012-00-1
Field of Research
Immunology & Inflammation
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
Storage Conditions
-20°C
Notes
For research use only.

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
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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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