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ETX0282

CAT: 0013-GTR19210216-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210216-01Size:25 mg
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Description
ETX0282 is an oral broad-spectrum β-lactamase inhibitor targeting class A and C enzymes, developed by Entasis to be combined with the oral cephalosporin cefpodoxime proxetil. This combination is designed to overcome β-lactamase-mediated resistance, with utility demonstrated in both in vitro susceptibility testing and in vivo infection model studies.
CAS Number
2209871-83-8
Smiles
O ([C@@H] (C (OC (C) C) =O) F) N1[C@]2 (C[N@@] (C1=O) [C@H] (C (N) =O) C=C2C) [H]
Molecular Formula
C13H18FN3O5
Molecular Weight
315.30
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

propan-2-yl (2R)-2-[[(2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]-2-fluoroacetate
CAS Number2209871-83-8
PubChem CID134348226
IUPAC Namepropan-2-yl (2R)-2-[[(2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]-2-fluoroacetate
Molecular FormulaC13H18FN3O5
Molecular Weight315.30
XLogP0.1
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity536
SMILES
CC1=C[C@H](N2C[C@@H]1N(C2=O)O[C@@H](C(=O)OC(C)C)F)C(=O)N
InChI
InChI=1S/C13H18FN3O5/c1-6(2)21-12(19)10(14)22-17-9-5-16(13(17)20)8(11(15)18)4-7(9)3/h4,6,8-10H,5H2,1-3H3,(H2,15,18)/t8-,9-,10-/m0/s1
InChIKey
OMNVFPBGXYKTDB-GUBZILKMSA-N
Chemical Structure
2D Structure
2D structure of propan-2-yl (2R)-2-[[(2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]-2-fluoroacetate
CAS: 2209871-83-8
CID: 134348226
Formula: C13H18FN3O5
MW: 315.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.30
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass315.12304885
Monoisotopic Mass315.12304885
Topological Polar Surface Area102 Ų
Heavy Atom Count22
Formal Charge0
Complexity536
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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