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Acyclovir-d4

CAT: 0804-HY-17422S1-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-17422S1-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Acyclovir-d4 is the deuterium labeled Acyclovir. Acyclovir (Aciclovir) is a guanosine analogue and an orally active antiviral agent. Acyclovir inhibits HSV-1 (IC50 of 0.85 μM), HSV-2 (IC50 of 0.86 μM) and varicella-zoster virus. Acyclovir can be phosphorylated by viral thymidine kinase (TK), and Acyclovir triphosphate interferes with viral DNA polymerization through competitive inhibition with guanosine triphosphate and obligatory chain termination[1][2][3]. Acyclovir prevents bacterial infections during induction therapy for acute leukaemia[4].
CAS Number
1185179-33-2
Product Name Alternative
Aciclovir-d4; Acycloguanosine-d4
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Antibiotic; Apoptosis; Bacterial; HSV; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Apoptosis; Others
Field of Research
Cancer; Infection
Purity
98.66
Solubility
10 mM in DMSO
Smiles
O=C1NC(N)=NC2=C1N=CN2COC([2H])([2H])C([2H])([2H])O
Molecular Formula
C8H7D4N5O3
Molecular Weight
229.23
Precautions
H315, H319, H335
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Li Z, et al. Acyclovir treatment of skin lesions results in immune deviation in mice infected cutaneously with herpes simplex virus. Antivir Chem Chemother. 1999 Sep;10 (5) :251-7.|[3]Lönnqvist B, et al. Oral acyclovir as prophylaxis for bacterial infections during induction therapy for acute leukaemia in adults. The Leukemia Group of Middle Sweden. Support Care Cancer. 1993 May;1 (3) :139-44.|[4]Suzuki M, et al. Synergistic antiviral activity of acyclovir and vidarabine against herpes simplex virus types 1 and 2 and varicella-zoster virus. Antiviral Res. 2006 Nov;72 (2) :157-61.|[5]Benedetti S, et al. Acyclovir induces cell cycle perturbation and apoptosis in Jurkat leukemia cells, and enhances chemotherapeutic drug cytotoxicity. Life Sci. 2018 Dec 15;215:80-85.|[6]Hayashi K, et al. The role of a HSV thymidine kinase stimulating substance, scopadulciol, in improving the efficacy of cancer gene therapy. J Gene Med. 2006 Aug;8 (8) :1056-67.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Acyclovir-d4
CAS Number1185179-33-2
PubChem CID136205837
IUPAC Name2-amino-9-[(1,1,2,2-tetradeuterio-2-hydroxyethoxy)methyl]-1H-purin-6-one
Molecular FormulaC8H11N5O3
Molecular Weight229.23
XLogP-1.9
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity308
SMILES
[2H]C([2H])(C([2H])([2H])OCN1C=NC2=C1N=C(NC2=O)N)O
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)/i1D2,2D2
InChIKey
MKUXAQIIEYXACX-LNLMKGTHSA-N
Chemical Structure
2D Structure
2D structure of Acyclovir-d4
CAS: 1185179-33-2
CID: 136205837
Formula: C8H11N5O3
MW: 229.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight229.23
XLogP3-1.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass229.11129621
Monoisotopic Mass229.11129621
Topological Polar Surface Area115 Ų
Heavy Atom Count16
Formal Charge0
Complexity308
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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HY-19187Acyclovir elaidate
HY-17422B-01Acyclovir monophosphate
HY-142028A-01Acyclovir triphosphate (sodium)
HY-137362-01N2-Acetyl acyclovir
HY-137362R-01N2-Acetyl acyclovir (Standard)

Alternative Products

CatalogName
CS-O-02866Acyclovir-d4
TRC-A192407-100MGAcyclovir-d4 Benzoate
452496-01Iso-acyclovir-d4
TRC-A168017-25MGN2-Acetyl Acyclovir-d4
TRC-A192427-50MGAcyclovir-d4 L-Leucinate
460304N2-Acetyl Acyclovir Benzoate-d4
MBS6035288-01Acyclovir-d4 (9-[(2-Hydroxyethoxy-d4)methyl]guanine, Acycloguanosine-d4)
A0858-52Acyclovir-d4 (9-[ (2-Hydroxyethoxy-d4) methyl]guanine, Acycloguanosine-d4)
A0202-02N2-Acetyl-9- (2-acetoxyethoxymethyl-d4) guanine (Diacetyl Acyclovir-d4)
MBS6065454-01N2-Acetyl-9-(2-acetoxyethoxymethyl-d4)guanine (Diacetyl Acyclovir-d4)

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