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ALG-001075

CAT: 0013-GTR19263842-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263842-01Size:50 mg
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Description
ALG-001075, a capsid assembly modulator (CAM), is an orally active inhibitor of HBV. It effectively suppresses HBV DNA production in primary human hepatocytes and significantly reduces extracellular levels of HBsAg/HBeAg and intracellular HBV RNA. In AAV-HBV mouse models, ALG-001075 notably decreases HBV DNA levels. It can be utilized in research related to chronic hepatitis B (CHB) .
CAS Number
2495324-66-6
Field of Research
Infectious Disease & Virology
Smiles
N#CC1=CC (=CC=C1F) NC (=O) C2=C (C (C (=O) C (=O) NC3 (C#C) COC3) =C (N2C) C) C
Molecular Formula
C22H19FN4O4
Molecular Weight
422.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(3-cyano-4-fluorophenyl)-4-(2-((3-ethynyloxetan-3-yl)amino)-2-oxoacetyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxamide
CAS Number2495324-66-6
PubChem CID155169332
IUPAC NameN-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide
Molecular FormulaC22H19FN4O4
Molecular Weight422.4
XLogP1.2
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity854
SMILES
CC1=C(N(C(=C1C(=O)C(=O)NC2(COC2)C#C)C)C)C(=O)NC3=CC(=C(C=C3)F)C#N
InChI
InChI=1S/C22H19FN4O4/c1-5-22(10-31-11-22)26-21(30)19(28)17-12(2)18(27(4)13(17)3)20(29)25-15-6-7-16(23)14(8-15)9-24/h1,6-8H,10-11H2,2-4H3,(H,25,29)(H,26,30)
InChIKey
CFNQUHVMFGMRDC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-cyano-4-fluorophenyl)-4-(2-((3-ethynyloxetan-3-yl)amino)-2-oxoacetyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxamide
CAS: 2495324-66-6
CID: 155169332
Formula: C22H19FN4O4
MW: 422.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.4
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass422.13903326
Monoisotopic Mass422.13903326
Topological Polar Surface Area113 Ų
Heavy Atom Count31
Formal Charge0
Complexity854
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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