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Ofirnoflastum

CAT: 0931-T201705-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T201705-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2731294-23-6
Target
STAT
Related Pathways
JAK/STAT signaling, Stem Cells
Bioactivity
Ofirnoflastum (Ofirnoflast) is an inhibitor of the serine/threonine-protein kinase Nek7, known for its anti-inflammatory properties.
Smiles
O=C(NC1=NOC(=C1)C2(CC2)C(F)(F)F)NC=3C=CC(=CC3F)C4=CN(C=5N=CN=C(N)C54)C6CC6
Molecular Formula
C23H19F4N7O2
Molecular Weight
501.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ofirnoflast

Ofirnoflast is a small molecule drug. The usage of the INN stem '-noflast' in the name indicates that Ofirnoflast is a inflammasome protein NLRP3 inhibitor. Ofirnoflast is under investigation in clinical trial NCT07052006 (HT-6184 in Subjects With MDS). Ofirnoflast has a monoisotopic molecular weight of 501.15 Da.

CAS Number2731294-23-6
PubChem CID162365111
IUPAC Name1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea
Molecular FormulaC23H19F4N7O2
Molecular Weight501.4
XLogP3.5
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity842
SMILES
C1CC1N2C=C(C3=C(N=CN=C32)N)C4=CC(=C(C=C4)NC(=O)NC5=NOC(=C5)C6(CC6)C(F)(F)F)F
InChI
InChI=1S/C23H19F4N7O2/c24-14-7-11(13-9-34(12-2-3-12)20-18(13)19(28)29-10-30-20)1-4-15(14)31-21(35)32-17-8-16(36-33-17)22(5-6-22)23(25,26)27/h1,4,7-10,12H,2-3,5-6H2,(H2,28,29,30)(H2,31,32,33,35)
InChIKey
MJUUWYZZPRAKCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ofirnoflast
CAS: 2731294-23-6
CID: 162365111
Formula: C23H19F4N7O2
MW: 501.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight501.4
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass501.15363552
Monoisotopic Mass501.15363552
Topological Polar Surface Area124 Ų
Heavy Atom Count36
Formal Charge0
Complexity842
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
GTR19240405-01Ofirnoflastum

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