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OSMI-3

CAT: 1410-M33048-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M33048-02Size:5 mg
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Description
OSMI-3 is a potent and cell-permeable inhibitor of O-GlcNAc transferase (OGT) for the study of cancer and cardiovascular disease.
CAS Number
2260791-13-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
669.77
Molecular Formula
C32H35N3O9S2
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

CID 146014495
CAS Number2260791-13-5
PubChem CID146014495
IUPAC Nameethyl 4-[2-[(1R)-2-[(2-ethoxy-2-oxoethyl)-(thiophen-2-ylmethyl)amino]-2-oxo-1-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]ethyl]phenoxy]butanoate
Molecular FormulaC32H35N3O9S2
Molecular Weight669.8
XLogP3.5
Topological Polar Surface Area194
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count18
Heavy Atom Count46
Formal Charge0
Complexity1190
SMILES
CCOC(=O)CCCOC1=CC=CC=C1[C@H](C(=O)N(CC2=CC=CS2)CC(=O)OCC)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)C=C4
InChI
InChI=1S/C32H35N3O9S2/c1-3-42-29(37)12-7-17-44-27-11-6-5-10-25(27)31(32(39)35(21-30(38)43-4-2)20-23-9-8-18-45-23)34-46(40,41)24-14-15-26-22(19-24)13-16-28(36)33-26/h5-6,8-11,13-16,18-19,31,34H,3-4,7,12,17,20-21H2,1-2H3,(H,33,36)/t31-/m1/s1
InChIKey
HKXREAYAGCIJNB-WJOKGBTCSA-N
Chemical Structure
2D Structure
2D structure of CID 146014495
CAS: 2260791-13-5
CID: 146014495
Formula: C32H35N3O9S2
MW: 669.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight669.8
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count18
Exact Mass669.18147205
Monoisotopic Mass669.18147205
Topological Polar Surface Area194 Ų
Heavy Atom Count46
Formal Charge0
Complexity1190
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-135785-01OSMI-3
T83646-01(S) -OSMI 3
MBS5825267(S)-OSMI 3
BA7119-25OSMI-2
BA7108-1OSMI-4
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