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AB-452

CAT: 0013-GTR19235726-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235726-02Size:50 mg
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Description
AB-452 is a dihydroquinolizinone-based, orally bioavailable small molecule that acts as a potent PAPD5/7 inhibitor. It destabilizes HBV RNA in vitro and has shown efficacy in a chronic HBV mouse model, making it a useful research tool for investigating novel antiviral strategies against hepatitis B.
CAS Number
2226178-35-2
Field of Research
Infectious Disease & Virology
Smiles
[C@@H] (C) (C) [C@H]1N2C (C=3C (C1) =CC (OCCCOC) =C (OC) N3) =CC (=O) C (C (O) =O) =C2
Molecular Formula
C21H26N2O6
Molecular Weight
402.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 139462206
CAS Number2226178-35-2
PubChem CID139462206
IUPAC Name(6S)-2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
Molecular FormulaC21H26N2O6
Molecular Weight402.4
XLogP3.1
Topological Polar Surface Area98.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity689
SMILES
CC(C)[C@@H]1CC2=CC(=C(N=C2C3=CC(=O)C(=CN13)C(=O)O)OC)OCCCOC
InChI
InChI=1S/C21H26N2O6/c1-12(2)15-8-13-9-18(29-7-5-6-27-3)20(28-4)22-19(13)16-10-17(24)14(21(25)26)11-23(15)16/h9-12,15H,5-8H2,1-4H3,(H,25,26)/t15-/m0/s1
InChIKey
UZKFYFNINMJEGT-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of CID 139462206
CAS: 2226178-35-2
CID: 139462206
Formula: C21H26N2O6
MW: 402.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass402.17908655
Monoisotopic Mass402.17908655
Topological Polar Surface Area98.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity689
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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