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Vaborbactam

CAT: 0926-BV163750-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-BV163750-05Size:25 mg
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CAS Number
1360457-46-0
Synonyms
RPX- 7009
Smiles
B1 ([C@H] (CC[C@H] (O1) CC (=O) O) NC (=O) CC2=CC=CS2) O
Molecular Formula
C12H16BNO5S
Molecular Weight
297.14 g/mol
Controlled
No

Chemical Information

Vaborbactam

Vaborbactam is a β-lactamase inhibitor based on a cyclic boronic acid pharmacophore. It has been used in trials investigating the treatment of bacterial infections in subjects with varying degrees of renal insufficiency. In August 2017, a combination antibacterial therapy under the market name Vabomere was approved by the FDA for the treatment of adult patients with complicated urinary tract infections (cUTI). Vabomere consists of vaborbactam and [Meropenem] for intravenous administration. Vaborbactam is added to the therapy to reduce the extent meropenem degradation by inhibiting the serine beta-lactamases expressed by the microorganism of target. The treatment aims to resolve infection-related symptoms of cUTI and achieve negative urine culture, when the infections are proven or strongly suspected to be caused by susceptible bacteria.

CAS Number1360457-46-0
PubChem CID56649692
IUPAC Name2-[(3R,6S)-2-hydroxy-3-[(2-thiophen-2-ylacetyl)amino]oxaborinan-6-yl]acetic acid
Molecular FormulaC12H16BNO5S
Molecular Weight297.14
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity370
SMILES
B1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)CC2=CC=CS2)O
InChI
InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1
InChIKey
IOOWNWLVCOUUEX-WPRPVWTQSA-N
Chemical Structure
2D Structure
2D structure of Vaborbactam
CAS: 1360457-46-0
CID: 56649692
Formula: C12H16BNO5S
MW: 297.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.14
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass297.0842240
Monoisotopic Mass297.0842240
Topological Polar Surface Area124 Ų
Heavy Atom Count20
Formal Charge0
Complexity370
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA1216-1Vaborbactam
HY-111521-01Meropenem-vaborbactam
A20638-5Vaborbactam 5mg
A20638-1Vaborbactam 1mg
AR-V01943-01Vaborbactam RPX7517
A20638-100Vaborbactam 100mg
A20638-50Vaborbactam 50mg

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