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Cyclopropavir

CAT: 0931-T15028-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T15028-01Size:25 mg
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CAS Number
632325-71-4
Target
Others, HSV, Virus Protease
Related Pathways
Others, Microbiology/Virology
Bioactivity
Cyclopropavir (Filociclovir; MBX-400) is a compound of broad-spectrum anti-herpesvirus. It has good antiviral activity against cytomegalovirus (CMV), herpes simplex virus (HHV) -6 and HHV-8 (EC50s: 0.7 μM to 8 μM) .
Smiles
C(O)C1(CO)/C(=C\N2C3=C(N=C2)C(=O)N=C(N)N3)/C1
Molecular Formula
C11H13N5O3
Molecular Weight
263.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Amino-9-((Z)-(2,2-bis(hydroxymethyl)cyclopropylidene)methyl)-1,9-dihydro-6H-purin-6-one

Filociclovir is under investigation in clinical trial NCT01433835 (Safety and Pharmacokinetics of Single Oral Doses of Filociclovir in Healthy Volunteers).

CAS Number632325-71-4
PubChem CID135409256
IUPAC Name2-amino-9-[(Z)-[2,2-bis(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one
Molecular FormulaC11H13N5O3
Molecular Weight263.25
XLogP-2.3
Topological Polar Surface Area126
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity471
SMILES
C1/C(=C/N2C=NC3=C2N=C(NC3=O)N)/C1(CO)CO
InChI
InChI=1S/C11H13N5O3/c12-10-14-8-7(9(19)15-10)13-5-16(8)2-6-1-11(6,3-17)4-18/h2,5,17-18H,1,3-4H2,(H3,12,14,15,19)/b6-2-
InChIKey
KMUNHOKTIVSFRA-KXFIGUGUSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-9-((Z)-(2,2-bis(hydroxymethyl)cyclopropylidene)methyl)-1,9-dihydro-6H-purin-6-one
CAS: 632325-71-4
CID: 135409256
Formula: C11H13N5O3
MW: 263.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.25
XLogP3-2.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass263.10183929
Monoisotopic Mass263.10183929
Topological Polar Surface Area126 Ų
Heavy Atom Count19
Formal Charge0
Complexity471
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-16721-01Cyclopropavir
A21309-100Cyclopropavir 100mg
A21309-10Cyclopropavir 10mg
A21309-5Cyclopropavir 5mg
A21309-1Cyclopropavir 1mg
A21309-50Cyclopropavir 50mg
A21309-25Cyclopropavir 25mg

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