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SHR5133

CAT: 0013-GTR19186096-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186096-02Size:50 mg
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Description
SHR5133 is a potent, orally bioavailable small molecule that targets hepatitis B virus (HBV) capsid assembly, effectively inhibiting viral replication with an EC50 of 26.6 nM. It serves as a valuable research tool for investigating HBV lifecycle and antiviral mechanisms in both cellular and animal models of infection.
CAS Number
2270943-23-0
Field of Research
Infectious Disease & Virology
Smiles
C (N[C@@H] (C (F) (F) F) C) (=O) C1=C2N (C[C@H] (C) N (C (NC3=CC (C#N) =C (F) C=C3) =O) C2) C=N1
Molecular Formula
C19H18F4N6O2
Molecular Weight
438.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
CAS Number2270943-23-0
PubChem CID137452725
IUPAC Name(6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
Molecular FormulaC19H18F4N6O2
Molecular Weight438.4
XLogP1.8
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity741
SMILES
C[C@H]1CN2C=NC(=C2CN1C(=O)NC3=CC(=C(C=C3)F)C#N)C(=O)N[C@H](C)C(F)(F)F
InChI
InChI=1S/C19H18F4N6O2/c1-10-7-28-9-25-16(17(30)26-11(2)19(21,22)23)15(28)8-29(10)18(31)27-13-3-4-14(20)12(5-13)6-24/h3-5,9-11H,7-8H2,1-2H3,(H,26,30)(H,27,31)/t10-,11+/m0/s1
InChIKey
OZIBIXCYSAMOHV-WDEREUQCSA-N
Chemical Structure
2D Structure
2D structure of (6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
CAS: 2270943-23-0
CID: 137452725
Formula: C19H18F4N6O2
MW: 438.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.4
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass438.14273649
Monoisotopic Mass438.14273649
Topological Polar Surface Area103 Ų
Heavy Atom Count31
Formal Charge0
Complexity741
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-144319SHR5133

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