Acyclovir

Category	Herpes simplex Virus (HSV)
CAS	59277-89-3
Description	Aciclovir is a synthetic nucleoside analogue active against herpesviruses. It is primarily used for the treatment of herpes simplex virus infections, chickenpox and shingles.

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Synonyms	Acyclovir
IUPAC Name	2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one
Molecular Weight	225.20
Molecular Formula	C8H11N5O3
Canonical SMILES	C1=NC2=C(N1COCCO)NC(=NC2=O)N
InChI	InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
InChIKey	MKUXAQIIEYXACX-UHFFFAOYSA-N
Boiling Point	595°C at 760 mmHg
Melting Point	256-257°C
Flash Point	302.4±32.3 °C
Purity	>98%
Density	1.77 g/cm3
Solubility	Soluble in DMSO, DMF
Appearance	White Crystalline Powder
Storage	Store at -20°C
Complexity	308
Exact Mass	225.086182
Index Of Refraction	1.762
In Vitro	Acyclovir reduces cell viability in a dose- and timedependent, blocks DNA synthesis, thereby arresting the cell cycle in G2/M and S phases and increasing the sub-G1 hypodiploid peak in a dose-dependent manner. Acyclovir induces Apoptosis through activates Caspase-3 and presences nuclear DNA fragmentation.
In Vivo	Acyclovir (20 mg/kg; p.o.; three times daily; for 10 days; BALB/c mice) treatment in infected mice suppresses the development of skin lesions and results in a dissociation between DTH response and antibody production.
PSA	119.05000
Target	HSV, IC50 Value: 0.53-0.75 uM; Apoptosis; Antibiotic; Bacterial
Vapor Pressure	0.0±1.7 mmHg at 25°C
XLogP3-AA	-1.9