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BW 348U87

CAT: 0804-HY-106892Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-106892Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BW 348U87 is an inhibitor for ribonucleotide reductase, which exhibits synergistic effect with Acyclovir , potentiate the antiviral activity of Acyclovir against herpes simplex virus (HSV) in athymic nude mouse model[1].
CAS Number
127142-14-7
Product Name Alternative
348U87
UNSPSC
12352005
Target
DNA/RNA Synthesis
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/bw-348u87.html
Purity
99.73
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
C/C(C1=CC=CC=N1)=N\NC(NNC(NC2=C(C=CC=C2)Cl)=S)=S
Molecular Formula
C15H15ClN6S2
Molecular Weight
378.90
References & Citations
[1]Spector T, et al., Inactivators of herpes simplex virus ribonucleotide reductase: hematological profiles and in vivo potentiation of the antiviral activity of acyclovir. Antimicrob Agents Chemother. 1992 May;36 (5) :934-7.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Compound 348U87

structure given in first source; antiherpes cpd

CAS Number127142-14-7
PubChem CID3006985
IUPAC Name1-(2-chlorophenyl)-3-[(1-pyridin-2-ylethylideneamino)carbamothioylamino]thiourea
Molecular FormulaC15H15ClN6S2
Molecular Weight378.9
XLogP3.3
Topological Polar Surface Area138
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity473
SMILES
CC(=NNC(=S)NNC(=S)NC1=CC=CC=C1Cl)C2=CC=CC=N2
InChI
InChI=1S/C15H15ClN6S2/c1-10(12-7-4-5-9-17-12)19-21-15(24)22-20-14(23)18-13-8-3-2-6-11(13)16/h2-9H,1H3,(H2,18,20,23)(H2,21,22,24)
InChIKey
YYLKOELWSMRYHV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Compound 348U87
CAS: 127142-14-7
CID: 3006985
Formula: C15H15ClN6S2
MW: 378.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.9
XLogP33.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass378.0488145
Monoisotopic Mass378.0488145
Topological Polar Surface Area138 Ų
Heavy Atom Count24
Formal Charge0
Complexity473
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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