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AM 114

CAT: 0607-A8163-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-A8163-10Size:10 mg
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Description
20S proteasome inhibitor
CAS Number
856849-35-9
Product Name Alternative
[4-[(Z)-[(5Z)-5-[(4-boronophenyl)methylidene]-1-methyl-4-oxopiperidin-3-ylidene]methyl]phenyl]boronic acid
Field of Research
Ubiquitination Proteasome Proteasome
Purity
0.98
Form
A solid
Solubility
insoluble in H2O; ≥16.65 mg/mL in DMSO; ≥4.11 mg/mL in EtOH with ultrasonic
Smiles
B(C1=CC=C(C=C1)C=C2CN(CC(=CC3=CC=C(C=C3)B(O)O)C2=O)C)(O)O
Molecular Formula
C20H21B2NO5
Molecular Weight
377.01
Shipping Conditions
Blue ice
Storage Conditions
Store at 4°C.

Chemical Information

AM-114

an oxapenem antibiotic that inhibits beta-lactamases; structure in first source

CAS Number856849-35-9
PubChem CID72941923
IUPAC Name[4-[(Z)-[(5Z)-5-[(4-boronophenyl)methylidene]-1-methyl-4-oxopiperidin-3-ylidene]methyl]phenyl]boronic acid
Molecular FormulaC20H21B2NO5
Molecular Weight377.0
Topological Polar Surface Area101
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity556
SMILES
B(O)(O)C1=CC=C(C=C1)/C=C/2\C(=O)/C(=C\C3=CC=C(C=C3)B(O)O)/CN(C2)C
InChI
InChI=1S/C20H21B2NO5/c1-23-12-16(10-14-2-6-18(7-3-14)21(25)26)20(24)17(13-23)11-15-4-8-19(9-5-15)22(27)28/h2-11,25-28H,12-13H2,1H3/b16-10-,17-11-
InChIKey
SRPIKXGUPAKTIZ-APGQMXJTSA-N
Chemical Structure
2D Structure
2D structure of AM-114
CAS: 856849-35-9
CID: 72941923
Formula: C20H21B2NO5
MW: 377.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass377.1605831
Monoisotopic Mass377.1605831
Topological Polar Surface Area101 Ų
Heavy Atom Count28
Formal Charge0
Complexity556
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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