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AN-3485 (hydrochloride)

CAT: 0804-HY-18325ASize: 1 EachDry Ice: NoHazardous: No
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Description
AN-3485 hydrochloride is a benzoxaborole analogue and an orally active antagonist of the Toll-like pathway. AN-3485 hydrochloride can inhibit TLR-mediated inflammatory cytokine secretion and has significant anti-inflammatory activity. In addition, AN-3485 hydrochloride also has certain anti-tumor activity[1][2].
CAS Number
1213786-72-1
UNSPSC
12352005
Target
Interleukin Related; NF-κB; Toll-like Receptor (TLR)
Type
Reference compound
Related Pathways
Immunology/Inflammation; NF-κB
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/an-3485-hydrochloride.html
Smiles
OB1OCC2=CC=C(C=C12)OC3=CC=C(C=C3Cl)CN.[H]Cl
Molecular Formula
C14H14BCl2NO3
Molecular Weight
325.98
References & Citations
[1]Dong C, et al. Inhibition of Toll-like receptor-mediated inflammation in vitro and in vivo by a novelbenzoxaborole. J Pharmacol Exp Ther. 2013 Feb;344 (2) :436-46.|[2]Chen Y, et al. Cancer-associated Fibroblasts (CAFs) Regulate Lung Cancer Malignant Progression by Transferring SERPINE2 (PN1) Via Exosomes. Curr Mol Med. 2024 Oct 25.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
IL-1; IL-6

Chemical Information

AN3485 Hydrochloride
CAS Number1213786-72-1
PubChem CID71719513
IUPAC Name[3-chloro-4-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]phenyl]methanamine;hydrochloride
Molecular FormulaC14H14BCl2NO3
Molecular Weight326.0
Topological Polar Surface Area64.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity336
SMILES
B1(C2=C(CO1)C=CC(=C2)OC3=C(C=C(C=C3)CN)Cl)O.Cl
InChI
InChI=1S/C14H13BClNO3.ClH/c16-13-5-9(7-17)1-4-14(13)20-11-3-2-10-8-19-15(18)12(10)6-11;/h1-6,18H,7-8,17H2;1H
InChIKey
NKFCWFBFRRZSRG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AN3485 Hydrochloride
CAS: 1213786-72-1
CID: 71719513
Formula: C14H14BCl2NO3
MW: 326.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass325.0443789
Monoisotopic Mass325.0443789
Topological Polar Surface Area64.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity336
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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A20989-50AN-3485 50mg
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