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Bentysrepinine

CAT: 0013-GTR19198118-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198118-01Size:25 mg
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Description
Bentysrepinine is a novel small molecule compound with anti-HBV activity, targeting both HBV DNA replication and cccDNA formation. It is a valuable research tool for investigating HBV infection mechanisms and evaluating potential therapies in both in vitro and in vivo experimental models.
CAS Number
934264-38-7
Field of Research
Infectious Disease & Virology
Smiles
[C@H] (CC1=CC=C (OCCN (C) C) C=C1) (C (N[C@@H] (CC2=CC=CC=C2) CO) =O) NC (=O) C3=CC=CC=C3
Molecular Formula
C29H35N3O4
Molecular Weight
489.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bentysrepinine
CAS Number934264-38-7
PubChem CID44224222
IUPAC NameN-[(2S)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
Molecular FormulaC29H35N3O4
Molecular Weight489.6
XLogP3.9
Topological Polar Surface Area90.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count36
Formal Charge0
Complexity638
SMILES
CN(C)CCOC1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)CO)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C29H35N3O4/c1-32(2)17-18-36-26-15-13-23(14-16-26)20-27(31-28(34)24-11-7-4-8-12-24)29(35)30-25(21-33)19-22-9-5-3-6-10-22/h3-16,25,27,33H,17-21H2,1-2H3,(H,30,35)(H,31,34)/t25-,27-/m0/s1
InChIKey
XWEMGJQQCSSGPN-BDYUSTAISA-N
Chemical Structure
2D Structure
2D structure of Bentysrepinine
CAS: 934264-38-7
CID: 44224222
Formula: C29H35N3O4
MW: 489.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight489.6
XLogP33.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass489.26275661
Monoisotopic Mass489.26275661
Topological Polar Surface Area90.9 Ų
Heavy Atom Count36
Formal Charge0
Complexity638
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

Alternative Products

CatalogName
HY-111073Bentysrepinine

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