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P-3FAX-Neu5Ac

CAT: 0013-GTR19183573-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183573-01Size:10 mg
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Description
P-3FAX-Neu5Ac is a synthetic sialic acid mimetic that functions as a potent inhibitor of sialyltransferase enzymes. It is widely used in biochemical research to study sialylation processes in vitro and has been applied in cellular models to investigate roles in cancer, inflammation, and infection.
CAS Number
117405-58-0
Product Name Alternative
P 3FAX Neu5Ac, P3FAXNeu5Ac, P-3FAX-Neu5Ac, P-3FAX-Neu-5Ac, sialyltransferase
Field of Research
Metabolism Research
Purity
97.08% (May vary between batches)
Solubility
DMSO:100 mg/mL (181.33 mM)
Smiles
C (OC) (=O) [C@@]1 (OC (C) =O) O[C@@] ([C@@H] ([C@@H] (COC (C) =O) OC (C) =O) OC (C) =O) ([C@H] (NC (C) =O) [C@@H] (OC (C) =O) [C@H]1F) [H]
Molecular Formula
C22H30FNO14
Molecular Weight
551.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

P-3FAX-Neu5Ac
CAS Number117405-58-0
PubChem CID72698605
IUPAC Namemethyl 5-acetamido-2,4-diacetyloxy-3-fluoro-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate
Molecular FormulaC22H30FNO14
Molecular Weight551.5
XLogP-0.8
Topological Polar Surface Area196
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count15
Rotatable Bond Count16
Heavy Atom Count38
Formal Charge0
Complexity954
SMILES
CC(=O)NC1C(C(C(OC1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC(=O)C)F)OC(=O)C
InChI
InChI=1S/C22H30FNO14/c1-9(25)24-16-18(17(35-12(4)28)15(34-11(3)27)8-33-10(2)26)38-22(21(31)32-7,37-14(6)30)20(23)19(16)36-13(5)29/h15-20H,8H2,1-7H3,(H,24,25)/t15-,16?,17-,18?,19?,20?,22?/m1/s1
InChIKey
COXHVKPJIOSDPS-RTEYEINBSA-N
Chemical Structure
2D Structure
2D structure of P-3FAX-Neu5Ac
CAS: 117405-58-0
CID: 72698605
Formula: C22H30FNO14
MW: 551.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight551.5
XLogP3-0.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count15
Rotatable Bond Count16
Exact Mass551.16503279
Monoisotopic Mass551.16503279
Topological Polar Surface Area196 Ų
Heavy Atom Count38
Formal Charge0
Complexity954
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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