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AN0128

CAT: 0013-GTR19198251-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198251-06Size:50 mg
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Description
AN0128
CAS Number
872044-70-7
Product Name Alternative
ONT 0001, ONT0001, ONT-0001, AN 0128, AN0128, AN-0128, CRM 0005, CRM0005, CRM-0005
Field of Research
Infectious Disease & Virology, Metabolism Research
Purity
98.21% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (10 mM) ; DMSO:100 mg/mL (249.96 mM)
Smiles
O=C (OB (C1=CC=C (C (Cl) =C1) C) C2=CC=C (C (Cl) =C2) C) C3=NC=CC=C3O
Molecular Formula
C20H16BCl2NO3
Molecular Weight
400.06
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

AN-0128

AN0128 is a novel compound that contains a boron atom within a borinic acid complex. AN0128 has broad spectrum activity against a wide variety of Gram positive bacteria, including many that are known skin colonizers. Of particular importance is P. acnes and its causal role in acne vulgaris. The rise in antibiotic resistance of P. acnes to standard antibiotics necessitates the development of new treatment agents. AN0128 is a good candidate for a topical antibiotic and is currently being developed by Anacor as a novel therapeutic for acne and atopic dermatitis.

CAS Number872044-70-7
PubChem CID11704019
IUPAC Namebis(3-chloro-4-methylphenyl)boranyl 3-hydroxypyridine-2-carboxylate
Molecular FormulaC20H16BCl2NO3
Molecular Weight400.1
Topological Polar Surface Area59.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity486
SMILES
B(C1=CC(=C(C=C1)C)Cl)(C2=CC(=C(C=C2)C)Cl)OC(=O)C3=C(C=CC=N3)O
InChI
InChI=1S/C20H16BCl2NO3/c1-12-5-7-14(10-16(12)22)21(15-8-6-13(2)17(23)11-15)27-20(26)19-18(25)4-3-9-24-19/h3-11,25H,1-2H3
InChIKey
ZTLSOLUCMQEGEA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AN-0128
CAS: 872044-70-7
CID: 11704019
Formula: C20H16BCl2NO3
MW: 400.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass399.0600289
Monoisotopic Mass399.0600289
Topological Polar Surface Area59.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity486
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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