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Vidofludimus - 10mM in DMSO, high purity , CAS No.717824-30-1, Dihydroorotate dehydrogenase inhibitor

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V425644
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V425644-1ml
1ml
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$214.90

COVID-19 Inhibitors

Basic Description

Synonyms EX-A4148 | s7262 | (+/-) ethylnipecotate | 2,2'-Anhydro(1.beta.-D-arabinofuranosyl)uracil | NCGC00246751-01 | NCGC00345056-01 | 4SC-101 | 4sc-101;SC12267 | A866371 | BCP14555 | AC-32911 | Vidofludimus | 2-((3-Fluoro-3'-methoxy-[1,1'-biphenyl]-4-yl)carbamo
Specifications & Purity Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms Vidofludimus (SC12267, 4SC-101) is an orally active and potent dihydroorotate dehydrogenase (DHODH) inhibitor with IC50 of 134 nM for human DHODH. Vidofludimus calcium (IMU-838) is investigated as a potential treatment option for COVID-19. Phase 2.
Storage Temp Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Action Type INHIBITOR
Mechanism of action Dihydroorotate dehydrogenase inhibitor
Product Description

Information

Vidofludimus Vidofludimus (SC12267, 4SC-101) is an orally active and potent dihydroorotate dehydrogenase (DHODH) inhibitor with IC50 of 134 nM for human DHODH. Vidofludimus calcium (IMU-838) is investigated as a potential treatment option for COVID-19. Phase 2.

Targets

Human DHODH 134 nM

In vitro

Vidofludimus causes a concentration dependent inhibition of phytohemagglutinin-stimulated PBMC proliferation via the inhibition of pyrimidine de novo synthesis. Vidofludimus attenuates IL-17 secretion from colonic strips by inhibition of STAT3 and NF-κB activation.

In vivo

In MRLlpr/lpr mice, Vidofludimus (300 mg/kg, p.o.) reduces systemic autoimmunity and improves Lupus Nephritis. In Rats, Vidofludimus (60 mg/kg, p.o.) effectively reduces macroscopic and histological pathology and the numbers of CD3+ T cells. In a rat model of renal transplantation, Vidofludimus (20 mg/kg, p.o.) prolongs survival, paralleled by amelioration of histologic signs of acute rejection.

Cell Research(from reference)

Cell lines:PBMCs 

Incubation Time:48 h 

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Biphenyls and derivatives
Intermediate Tree Nodes Not available
Direct Parent Biphenyls and derivatives
Alternative Parents Anilides  Phenoxy compounds  N-arylamides  Methoxybenzenes  Anisoles  Fluorobenzenes  Alkyl aryl ethers  Aryl fluorides  Secondary carboxylic acid amides  Monocarboxylic acids and derivatives  Carboxylic acids  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aromatic homomonocyclic compounds
Substituents Biphenyl - Anilide - Phenoxy compound - Anisole - Methoxybenzene - N-arylamide - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Aromatic homomonocyclic compound
Description This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
External Descriptors Not available

Product Properties

ALogP 3.878
HBD Count 1
Rotatable Bond 5

Associated Targets(Human)

DHODH Tclin Dihydroorotate dehydrogenase (quinone), mitochondrial (5 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
DHODH Tclin Dihydroorotate dehydrogenase (2737 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
INCHI InChI=1S/C20H18FNO4/c1-26-14-5-2-4-12(10-14)13-8-9-18(17(21)11-13)22-19(23)15-6-3-7-16(15)20(24)25/h2,4-5,8-11H,3,6-7H2,1H3,(H,22,23)(H,24,25)
InChIKey XPRDUGXOWVXZLL-UHFFFAOYSA-N
Smiles COC1=CC=CC(=C1)C2=CC(=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)F
Isomeric SMILES COC1=CC=CC(=C1)C2=CC(=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)F
PubChem CID 9820008
Molecular Weight 355.36

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

DMSO(mg / mL) Max Solubility 100
DMSO(mM) Max Solubility 281.4047726
Water(mg / mL) Max Solubility <1
Molecular Weight 355.400 g/mol
XLogP3 3.400
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 355.122 Da
Monoisotopic Mass 355.122 Da
Topological Polar Surface Area 75.600 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 576.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Citations of This Product

1. Xiaoyu Gao, Kaifeng Guo, Shuangfeng Liu, Weixing Yang, Jun Sheng, Yang Tian, Lei Peng, Yan Zhao.  (2024)  A Potential Use of Vidarabine: Alleviation of Functional Constipation Through Modulation of the Adenosine A2A Receptor-MLC Signaling Pathway and the Gut Microbiota.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,  25  (23): (12810). 

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