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SAG-524

CAT: 0804-HY-157993-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-157993-01Size:5 mg
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Description
SAG-524 is a potent oral small molecule HBV viral replication inhibitor. SAG-524 decreased HBV-DNA and HbsAg levels in supernatant of HepG2.2.15 cells, IC50 0.92 and 1.4 nM, respectively[1].
CAS Number
2246696-89-7
UNSPSC
12352005
Target
HBV
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/sag-524.html
Purity
98.50
Solubility
DMSO : 100 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
COCCN1CCN(CC1)C2=NC3=CC=C(C=C3S2)N4C=C(C(C=C4C5=CC(Cl)=C(C=C5)N6CCCC6)=O)C(O)=O
Molecular Formula
C30H32ClN5O4S
Molecular Weight
594.12
References & Citations
[1]Watanabe T, et al. A novel, small anti-HBV compound reduces HBsAg and HBV-DNA by destabilizing HBV-RNA. J Gastroenterol. 2024 Feb 5.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

6-(3-Chloro-4-pyrrolidin-1-ylphenyl)-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-benzothiazol-6-yl]-4-oxopyridine-3-carboxylic acid
CAS Number2246696-89-7
PubChem CID142441548
IUPAC Name6-(3-chloro-4-pyrrolidin-1-ylphenyl)-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-benzothiazol-6-yl]-4-oxopyridine-3-carboxylic acid
Molecular FormulaC30H32ClN5O4S
Molecular Weight594.1
XLogP3.3
Topological Polar Surface Area118
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity1030
SMILES
COCCN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)N4C=C(C(=O)C=C4C5=CC(=C(C=C5)N6CCCC6)Cl)C(=O)O
InChI
InChI=1S/C30H32ClN5O4S/c1-40-15-14-33-10-12-35(13-11-33)30-32-24-6-5-21(17-28(24)41-30)36-19-22(29(38)39)27(37)18-26(36)20-4-7-25(23(31)16-20)34-8-2-3-9-34/h4-7,16-19H,2-3,8-15H2,1H3,(H,38,39)
InChIKey
JKMKAOVRZYAWFV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(3-Chloro-4-pyrrolidin-1-ylphenyl)-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-benzothiazol-6-yl]-4-oxopyridine-3-carboxylic acid
CAS: 2246696-89-7
CID: 142441548
Formula: C30H32ClN5O4S
MW: 594.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight594.1
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass593.1863534
Monoisotopic Mass593.1863534
Topological Polar Surface Area118 Ų
Heavy Atom Count41
Formal Charge0
Complexity1030
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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