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β-Lactamase-IN-2

CAT: 0804-HY-138247-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-138247-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
β-Lactamase-IN-2 is a beta-lactamase inhibitor, extracted from patent WO 2019075084 A1, compound 1. β-Lactamase-IN-2 has anti-microbial and anti-bacterial effects[1].
CAS Number
2114651-20-4
Product Name Alternative
EX-A4764; UUN51204
UNSPSC
12352005
Target
Antibiotic; Bacterial; Beta-lactamase
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/β-lactamase-in-2.html
Purity
98.59
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=C(OC=C2)C2=CC=C1F)OCC
Molecular Formula
C11H9FO3
Molecular Weight
208.19
References & Citations
[1]Scott J. Hecker, et al. Boronic acid derivatives and synthesis thereof. Patent WO 2019075084
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Ethyl 6-fluorobenzofuran-7-carboxylate
CAS Number2114651-20-4
PubChem CID138544542
IUPAC Nameethyl 6-fluoro-1-benzofuran-7-carboxylate
Molecular FormulaC11H9FO3
Molecular Weight208.18
XLogP2.6
Topological Polar Surface Area39.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity244
SMILES
CCOC(=O)C1=C(C=CC2=C1OC=C2)F
InChI
InChI=1S/C11H9FO3/c1-2-14-11(13)9-8(12)4-3-7-5-6-15-10(7)9/h3-6H,2H2,1H3
InChIKey
UCYZLXGEGADIQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 6-fluorobenzofuran-7-carboxylate
CAS: 2114651-20-4
CID: 138544542
Formula: C11H9FO3
MW: 208.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.18
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass208.05357231
Monoisotopic Mass208.05357231
Topological Polar Surface Area39.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity244
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BA1181-5.1β-Lactamase-IN-2
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322065Lactamase, beta 2
T60370-01Metallo-β-lactamase-IN-2
BUP02330-01SS-Lactamase-IN-2
484584LACTB2 (Beta-Lactamase-Like Protein 2, Lactamase, Beta 2)
AG041β-lactamase
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