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OGT 2115

CAT: 0931-T16380-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T16380-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
853929-59-6
Target
Others, glycosidase
Related Pathways
Others, Metabolism
Purity
0.9727
Bioactivity
OGT 2115 is an inhibitor of heparanase (IC50 = 0.4 μM), an enzyme that cleaves heparan sulfate into glucuronic acid (GlcUA) and N-acetylglucosamine (GlcNAc) . OGT 2115 also showed antiangiogenic properties (IC50=1 μM) .
Smiles
OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(Br)cc2)c(F)c1
Molecular Formula
C24H16BrFN2O4
Molecular Weight
495.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(E)-2-(2-(4-(3-(4-bromophenyl)acrylamido)-3-fluorophenyl)benzo[d]oxazol-5-yl)acetic acid
CAS Number853929-59-6
PubChem CID44402523
IUPAC Name2-[2-[4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-3-fluorophenyl]-1,3-benzoxazol-5-yl]acetic acid
Molecular FormulaC24H16BrFN2O4
Molecular Weight495.3
XLogP4.9
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity699
SMILES
C1=CC(=CC=C1/C=C/C(=O)NC2=C(C=C(C=C2)C3=NC4=C(O3)C=CC(=C4)CC(=O)O)F)Br
InChI
InChI=1S/C24H16BrFN2O4/c25-17-6-1-14(2-7-17)4-10-22(29)27-19-8-5-16(13-18(19)26)24-28-20-11-15(12-23(30)31)3-9-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b10-4+
InChIKey
LKBXWNYXDMSFQU-ONNFQVAWSA-N
Chemical Structure
2D Structure
2D structure of (E)-2-(2-(4-(3-(4-bromophenyl)acrylamido)-3-fluorophenyl)benzo[d]oxazol-5-yl)acetic acid
CAS: 853929-59-6
CID: 44402523
Formula: C24H16BrFN2O4
MW: 495.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight495.3
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass494.02775
Monoisotopic Mass494.02775
Topological Polar Surface Area92.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity699
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