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853929-59-6

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853929-59-6 Structure

853929-59-6 Structure
IdentificationBack Directory
[Name]

2-[4-[[3-(4-Bromophenyl)-1-oxo-2-propenyl]amino]-3-fluorophenyl]-5-benzoxazoleaceticacid
[CAS]

853929-59-6
[Synonyms]

OGT 2115
(E)-2-(2-(4-(3-(4-Bromophenyl)acrylamido)-3-fluorophenyl)benzo[d]oxazol-5-yl)acetic acid
2-[4-[[3-(4-Bromophenyl)-1-oxo-2-propenyl]amino]-3-fluorophenyl]-5-benzoxazoleaceticacid
5-Benzoxazoleacetic acid, 2-[4-[[3-(4-bromophenyl)-1-oxo-2-propen-1-yl]amino]-3-fluorophenyl]-
[Molecular Formula]

C24H16BrFN2O4
[MDL Number]

MFCD12828743
[MOL File]

853929-59-6.mol
[Molecular Weight]

495.3
Chemical PropertiesBack Directory
[Boiling point ]

685.9±55.0 °C(Predicted)
[density ]

1.574±0.06 g/cm3(Predicted)
[storage temp. ]

Store at RT
[solubility ]

Soluble to 10 mM in DMSO
[form ]

Powder
[pka]

3.85±0.30(Predicted)
[color ]

White to yellow
[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)
[InChIKey]

LKBXWNYXDMSFQU-UHFFFAOYSA-N
[SMILES]

O1C2=CC=C(CC(O)=O)C=C2N=C1C1=CC=C(NC(=O)C=CC2=CC=C(Br)C=C2)C(F)=C1
Hazard InformationBack Directory
[Uses]

OGT 2115 is an antiangiogenic heparanase inhibiting compound.
[in vivo]

When administered to mice, OGT 2115 (Compound 12d) shows a plasma concentration of ~10x the heparanase IC50 following oral dosing at 20 mg/kg[1].

[storage]

Store at RT
Spectrum DetailBack Directory
[Spectrum Detail]

2-[4-[[3-(4-Bromophenyl)-1-oxo-2-propenyl]amino]-3-fluorophenyl]-5-benzoxazoleaceticacid(853929-59-6)1HNMR
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