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Anti-TSWV agent 1

CAT: 0804-HY-132967Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-132967Size:1 Each
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Description
Anti-TSWV agent 1 exhibits excellent inactivation activity against tomato spotted wilt virus (TSWV), with an EC50 value of 144 μg/mL.
CAS Number
2763371-23-7
UNSPSC
12352005
Target
Others
Type
Reference compound
Related Pathways
Others
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/anti-tswv-agent-1.html
Solubility
10 mM in DMSO
Smiles
O=C1N(CSC2=NC=C(C(SCCCC)SCCCC)C=N2)C=NC3=C1C=C(Cl)C=C3
Molecular Formula
C22H27ClN4OS3
Molecular Weight
495.12
References & Citations
[1]Zu G, et al. Synthesis, Anti-Tomato Spotted Wilt Virus Activities, and Interaction Mechanisms of Novel Dithioacetal Derivatives Containing a 4 (3H) -Quinazolinone Pyrimidine Ring. J Agric Food Chem. 2021 Nov 22.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Anti-TSWV agent 1
CAS Number2763371-23-7
PubChem CID162640953
IUPAC Name3-[[5-[bis(butylsulfanyl)methyl]pyrimidin-2-yl]sulfanylmethyl]-6-chloroquinazolin-4-one
Molecular FormulaC22H27ClN4OS3
Molecular Weight495.1
XLogP6.2
Topological Polar Surface Area134
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count31
Formal Charge0
Complexity567
SMILES
CCCCSC(C1=CN=C(N=C1)SCN2C=NC3=C(C2=O)C=C(C=C3)Cl)SCCCC
InChI
InChI=1S/C22H27ClN4OS3/c1-3-5-9-29-21(30-10-6-4-2)16-12-24-22(25-13-16)31-15-27-14-26-19-8-7-17(23)11-18(19)20(27)28/h7-8,11-14,21H,3-6,9-10,15H2,1-2H3
InChIKey
JAWWWZXEXPKZPI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anti-TSWV agent 1
CAS: 2763371-23-7
CID: 162640953
Formula: C22H27ClN4OS3
MW: 495.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight495.1
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass494.1035527
Monoisotopic Mass494.1035527
Topological Polar Surface Area134 Ų
Heavy Atom Count31
Formal Charge0
Complexity567
Isotope Atom Count0
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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