Cyclopropavir (Filociclovir; ZSM-I-62; MBX-400) is a broad-spectrum anti-herpesvirus compound, has good antiviral activity against cytomegalovirus (CMV), herpes simplex virus (HHV)-6 and HHV-8 with EC 50 s of 0.7 μM to 8 μM.

Form:Solid

Specifiche

Sinonimi

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

C1C(=CN2C=NC3=C2N=C(NC3=O)N)C1(CO)CO

IUPAC Name

2-amino-9-[(Z)-[2,2-bis(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one

InChIKey

KMUNHOKTIVSFRA-KXFIGUGUSA-N

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-

Isomeri SMILES

C1/C(=C/N2C=NC3=C2N=C(NC3=O)N)/C1(CO)CO

CAS alternativo

632325-71-4

PubChem CID

135409256

Termini MeSH

(Z)-9-((2,2-bis-(hydroxymethyl)cyclopropylidene)methyl)guanine;9-((2,2-bis(hydroxymethyl)cyclopropylidene)methyl)guanine;cyclopropavir;MMV1782220;ZDM-I-62

Peso molecolare

263.25

Dati avanzati

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Classe Imidazopyrimidines
    - Subclass Purines and purine derivatives
      - Level5 Purinones
        Level6 Hypoxanthines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Classe	Imidazopyrimidines
Subclass	Purines and purine derivatives
Intermediate Tree Nodes	Purinones
Direct Parent	Hypoxanthines
Alternative Parents	6-oxopurines Pyrimidones Aminopyrimidines and derivatives N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Azacyclic compounds Primary amines Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	6-oxopurine - Hypoxanthine - Aminopyrimidine - Pyrimidone - Pyrimidine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Azacycle - Organooxygen compound - Organonitrogen compound - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alcohol - Primary alcohol - Aromatic heteropolycyclic compound
Descrizione	This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Struttura 3D

Obiettivi associati (umani)

Daudi (625 Activities)

Solubilità	DMSO : 33.33 mg/mL (126.61 mM; ultrasonic and warming and heat to 60°C)
Peso molecolare	263.250 g/mol
XLogP3	-2.300
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	263.102 Da
Monoisotopic Mass	263.102 Da
Topological Polar Surface Area	126.000 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	471.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

Cyclopropavir - ≥98% , CAS No.632325-71-4

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