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TFC-007

CAT: 0931-T24870-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T24870-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
927878-49-7
Target
Ligands for Target Protein for PROTAC, Ligand for E3 Ligase, PGE Synthase
Related Pathways
PROTAC, Immunology/Inflammation
Purity
0.9807
Bioactivity
TFC-007 is a selective and efficient hematopoietic prostaglandin D synthase (H-PGDS) inhibitor, suppressing inflammatory factors. It can be used to synthesize H-PGDS degrader PROTAC (H-PGDS) -1 and study cedar pollen-induced guinea pig allergic rhinitis.
Smiles
O=C(NC1=CC=C(C=C1)N2CCC(C(=O)N3CCOCC3)CC2)C4=CN=C(N=C4)OC=5C=CC=CC5
Molecular Formula
C27H29N5O4
Molecular Weight
487.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tfc007
CAS Number927878-49-7
PubChem CID16040067
IUPAC NameN-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]-2-phenoxypyrimidine-5-carboxamide
Molecular FormulaC27H29N5O4
Molecular Weight487.5
XLogP2.6
Topological Polar Surface Area96.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity703
SMILES
C1CN(CCC1C(=O)N2CCOCC2)C3=CC=C(C=C3)NC(=O)C4=CN=C(N=C4)OC5=CC=CC=C5
InChI
InChI=1S/C27H29N5O4/c33-25(21-18-28-27(29-19-21)36-24-4-2-1-3-5-24)30-22-6-8-23(9-7-22)31-12-10-20(11-13-31)26(34)32-14-16-35-17-15-32/h1-9,18-20H,10-17H2,(H,30,33)
InChIKey
NLSSUSRERAMBTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tfc007
CAS: 927878-49-7
CID: 16040067
Formula: C27H29N5O4
MW: 487.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight487.5
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass487.22195442
Monoisotopic Mass487.22195442
Topological Polar Surface Area96.9 Ų
Heavy Atom Count36
Formal Charge0
Complexity703
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