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Laflunimus

CAT: 0804-HY-101813-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101813-01Size:5 mg
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Description
Laflunimus (HR325) is an immunosuppressive agent and an analogue of the Leflunomide-active metabolite A77 1726. Laflunimus is an orally active inhibitor of dihydroorotate dehydrogenase (DHODH) . Laflunimus suppresses immunoglobulin (Ig) secretion, with IC50 values of 2.5 and 2 μM for IgM and IgG, respectively. Laflunimus also is a prostaglandin endoperoxide H synthase (PGHS) -1 and -2 inhibitor[1][2].
CAS Number
147076-36-6
Product Name Alternative
HR325
UNSPSC
12352005
Target
Dihydroorotate Dehydrogenase; DNA/RNA Synthesis; Prostaglandin Receptor
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; GPCR/G Protein; Metabolic Enzyme/Protease
Applications
COVID-19-anti-virus
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/laflunimus.html
Purity
99.70
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C(NC1=CC=C(C(F)(F)F)C(C)=C1)/C(C#N)=C(C2CC2)\O
Molecular Formula
C15H13F3N2O2
Molecular Weight
310.27
References & Citations
[1]Thomson TA, et al. In vitro and in Vivo inhibition of immunoglobulin secretion by the immunosuppressive compound HR325 is reversed by exogenous uridine. Scand J Immunol. 2002 Jul;56 (1) :35-42.|[2]Curnock AP, et al. Potencies of leflunomide and HR325 as inhibitors of prostaglandin endoperoxide H synthase-1 and -2: comparison with nonsteroidal anti-inflammatory drugs. J Pharmacol Exp Ther. 1997 Jul;282 (1) :339-47.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

Laflunimus

Laflunimus is a small molecule drug. Laflunimus has a monoisotopic molecular weight of 310.09 Da.

CAS Number147076-36-6
PubChem CID54684599
IUPAC Name(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[3-methyl-4-(trifluoromethyl)phenyl]prop-2-enamide
Molecular FormulaC15H13F3N2O2
Molecular Weight310.27
XLogP3.8
Topological Polar Surface Area73.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity529
SMILES
CC1=C(C=CC(=C1)NC(=O)/C(=C(/C2CC2)\O)/C#N)C(F)(F)F
InChI
InChI=1S/C15H13F3N2O2/c1-8-6-10(4-5-12(8)15(16,17)18)20-14(22)11(7-19)13(21)9-2-3-9/h4-6,9,21H,2-3H2,1H3,(H,20,22)/b13-11-
InChIKey
GDHFOVCRYCPOTK-QBFSEMIESA-N
Chemical Structure
2D Structure
2D structure of Laflunimus
CAS: 147076-36-6
CID: 54684599
Formula: C15H13F3N2O2
MW: 310.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.27
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass310.09291215
Monoisotopic Mass310.09291215
Topological Polar Surface Area73.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity529
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

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BA4021-5.1Laflunimus
453518Laflunimus-d4
sc-488689Laflunimus Sodium Salt
TRC-L168512-50MGLaflunimus Sodium Salt-d4

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