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T-1228

CAT: 0013-GTR19274110-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274110-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
T-1228 is a highly selective inhibitor of LpxC. It effectively blocks the synthesis of LPS, leading to structural defects in the bacterial outer membrane, increased membrane permeability, and ultimately bacterial cell death. T-1228 is used in research on Gram-negative bacterial infections.
CAS Number
1884551-35-2
Smiles
[C@@] (N (C (=O) C1=CC=C (C#CC2=CC=C ([C@@H] (CO) O) C=C2) C=C1) C) (C (NC) =O) (C (NO) =O) C.O
Molecular Formula
C23H27N3O7
Molecular Weight
457.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S)-2-[[4-[2-[4-[(1S)-1,2-dihydroxyethyl]phenyl]ethynyl]benzoyl]-methylamino]-N-hydroxy-N',2-dimethylpropanediamide;hydrate
CAS Number1884551-35-2
PubChem CID137455801
IUPAC Name(2S)-2-[[4-[2-[4-[(1S)-1,2-dihydroxyethyl]phenyl]ethynyl]benzoyl]-methylamino]-N-hydroxy-N',2-dimethylpropanediamide;hydrate
Molecular FormulaC23H27N3O7
Molecular Weight457.5
Topological Polar Surface Area140
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity743
SMILES
C[C@](C(=O)NC)(C(=O)NO)N(C)C(=O)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)[C@@H](CO)O.O
InChI
InChI=1S/C23H25N3O6.H2O/c1-23(21(30)24-2,22(31)25-32)26(3)20(29)18-12-8-16(9-13-18)5-4-15-6-10-17(11-7-15)19(28)14-27;/h6-13,19,27-28,32H,14H2,1-3H3,(H,24,30)(H,25,31);1H2/t19-,23+;/m1./s1
InChIKey
PLHLITBEWJAPSE-GZAZMHIXSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-[[4-[2-[4-[(1S)-1,2-dihydroxyethyl]phenyl]ethynyl]benzoyl]-methylamino]-N-hydroxy-N',2-dimethylpropanediamide;hydrate
CAS: 1884551-35-2
CID: 137455801
Formula: C23H27N3O7
MW: 457.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass457.18490021
Monoisotopic Mass457.18490021
Topological Polar Surface Area140 Ų
Heavy Atom Count33
Formal Charge0
Complexity743
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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