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DDX3-IN-2

CAT: 0804-HY-121969-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-121969-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DDX3-IN-2 is an active DEADbox polypeptide 3 (DDX3) inhibitor with an IC50 value of 0.3 μM. DDX3-IN-2 shows a broad spectrum of antiviral activity. DDX3-IN-2 has the potential to overcome HIV resistance[1].
CAS Number
1919828-81-1
UNSPSC
12352005
Target
HIV
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/ddx3-in-2.html
Purity
99.49
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(NC1=CC=C(N2N=NC(CCCC)=C2)C=C1)NC3=CC=CC=C3C
Molecular Formula
C20H23N5O
Molecular Weight
349.43
References & Citations
[1]Brai A, et al. Human DDX3 protein is a valuable target to develop broad spectrum antiviral agents. Proc Natl Acad Sci U S A. 2016;113 (19) :5388-5393.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
HIV

Chemical Information

Ddx3-IN-2
CAS Number1919828-81-1
PubChem CID122455309
IUPAC Name1-[4-(4-butyltriazol-1-yl)phenyl]-3-(2-methylphenyl)urea
Molecular FormulaC20H23N5O
Molecular Weight349.4
XLogP4
Topological Polar Surface Area71.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity438
SMILES
CCCCC1=CN(N=N1)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3C
InChI
InChI=1S/C20H23N5O/c1-3-4-8-17-14-25(24-23-17)18-12-10-16(11-13-18)21-20(26)22-19-9-6-5-7-15(19)2/h5-7,9-14H,3-4,8H2,1-2H3,(H2,21,22,26)
InChIKey
LZPQWTRWEKFHPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ddx3-IN-2
CAS: 1919828-81-1
CID: 122455309
Formula: C20H23N5O
MW: 349.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.4
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass349.19026037
Monoisotopic Mass349.19026037
Topological Polar Surface Area71.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity438
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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