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Vaborbactam

CAT: 0926-BV163750-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-BV163750-01Size:1 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
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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
GTR19202949-01Vaborbactam
HY-111521-01Meropenem-vaborbactam
A20638-5Vaborbactam 5mg
A20638-1Vaborbactam 1mg
AR-V01943-01Vaborbactam RPX7517
A20638-100Vaborbactam 100mg
A20638-50Vaborbactam 50mg

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