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Manitimus

CAT: 0013-GTR19205469-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205469-01Size:5 mg
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Description
Manitimus (FK778) is a dehydroorotate dehydrogenase (DHODH) inhibitor with immunosuppressive and antiproliferative properties. It has been studied in models of vascular injury, where it inhibits vascular remodeling, and is used in research on immune dysfunction and transplant rejection.
CAS Number
202057-76-9
Product Name Alternative
Manitimus, FK778, FK-778, FK 778, Dehydroorotate dehydrogenase
Field of Research
Metabolism Research
Purity
99.75% (May vary between batches)
Smiles
C (\C (NC1=CC=C (C (F) (F) F) C=C1) =O) (=C (/CCC#C) \O) /C#N
Molecular Formula
C15H11F3N2O2
Molecular Weight
308.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Manitimus

FK778, a novel compound with multiple mechanisms of action, is efficacious, well tolerated and safe in kidney transplant patients, potentially offering a breakthrough in immunosuppressive therapy.

CAS Number202057-76-9
PubChem CID54686843
IUPAC Name(Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]hept-2-en-6-ynamide
Molecular FormulaC15H11F3N2O2
Molecular Weight308.25
XLogP3.7
Topological Polar Surface Area73.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity540
SMILES
C#CCC/C(=C(\C#N)/C(=O)NC1=CC=C(C=C1)C(F)(F)F)/O
InChI
InChI=1S/C15H11F3N2O2/c1-2-3-4-13(21)12(9-19)14(22)20-11-7-5-10(6-8-11)15(16,17)18/h1,5-8,21H,3-4H2,(H,20,22)/b13-12-
InChIKey
IRELROQHIPLASX-SEYXRHQNSA-N
Chemical Structure
2D Structure
2D structure of Manitimus
CAS: 202057-76-9
CID: 54686843
Formula: C15H11F3N2O2
MW: 308.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.25
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass308.07726208
Monoisotopic Mass308.07726208
Topological Polar Surface Area73.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity540
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

CatalogName
HY-101603-01Manitimus
A13161-20Manitimus 20mg
A13161-5Manitimus 5mg
A13161-10Manitimus 10mg
A13161-50Manitimus 50mg
A13161-1Manitimus 1mg

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