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CNP0296775

CAT: 0804-HY-N12612Size: 1 EachDry Ice: NoHazardous: No
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Description
CNP0296775 is an inhibitor of dengue virus methyltransferase (DENV MTase) that has the potential to disrupt the viral replication process[1].
CAS Number
59204-62-5
UNSPSC
12352005
Target
Dengue Virus; DNA Methyltransferase
Type
Natural Products
Related Pathways
Anti-infection; Epigenetics
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/cnp0296775.html
Solubility
10 mM in DMSO
Smiles
NC1=NC=NC2=C1N=CN2[C@H]3[C@H](O)[C@H](NC([C@@H](N)CCCCNC(N)=O)=O)[C@@H](CO)O3
Molecular Formula
C17H27N9O5
Molecular Weight
437.45
References & Citations
[1]Imran, Mohd, et al. "Investigation of natural compounds as methyltransferase inhibitors against dengue virus: an in silico approach." Journal of Biomolecular Structure and Dynamics (2024) : 1-16.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

3'-[(N6-Aminocarbonyl-L-lysyl)amino]-3'-deoxyadenosine
CAS Number59204-62-5
PubChem CID101288446
IUPAC Name(2S)-2-amino-N-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-6-(carbamoylamino)hexanamide
Molecular FormulaC17H27N9O5
Molecular Weight437.5
XLogP-2.1
Topological Polar Surface Area230
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity629
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CCCCNC(=O)N)N)O)N
InChI
InChI=1S/C17H27N9O5/c18-8(3-1-2-4-21-17(20)30)15(29)25-10-9(5-27)31-16(12(10)28)26-7-24-11-13(19)22-6-23-14(11)26/h6-10,12,16,27-28H,1-5,18H2,(H,25,29)(H2,19,22,23)(H3,20,21,30)/t8-,9+,10+,12+,16+/m0/s1
InChIKey
PRSGILKSOMZEFX-GBPQWNHNSA-N
Chemical Structure
2D Structure
2D structure of 3'-[(N6-Aminocarbonyl-L-lysyl)amino]-3'-deoxyadenosine
CAS: 59204-62-5
CID: 101288446
Formula: C17H27N9O5
MW: 437.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.5
XLogP3-2.1
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass437.21351500
Monoisotopic Mass437.21351500
Topological Polar Surface Area230 Ų
Heavy Atom Count31
Formal Charge0
Complexity629
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN11162-01CNP0296775

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