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Anti-infective agent 2

CAT: 0804-HY-146488Size: 1 EachDry Ice: NoHazardous: No
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Description
Anti-infective agent 2 (compound 3k) shows antiparasitic activity against P. falciparum and T. brucei rhodesiense, with IC50 values of 0.07 and 2.20 μM, respectively. Anti-infective agent 2 shows antimycobacterial activity against Mycobacterium smegmatis with a MIC of 32 μg/mL[1].
CAS Number
2521629-84-3
UNSPSC
12352005
Target
Bacterial; Parasite
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/anti-infective-agent-2.html
Solubility
10 mM in DMSO
Smiles
O=C1C=C(C(C2=CC=CC=C12)=O)C3=CN=C(C=C3)Cl
Molecular Formula
C15H8ClNO2
Molecular Weight
269.68
References & Citations
[1]Kalt MM, et al. Palladium-catalysed synthesis of arylnaphthoquinones as antiprotozoal and antimycobacterial agents. Eur J Med Chem. 2020 Dec 1;207:112837.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Anti-infective agent 2
CAS Number2521629-84-3
PubChem CID162643643
IUPAC Name2-(6-chloro-3-pyridinyl)naphthalene-1,4-dione
Molecular FormulaC15H8ClNO2
Molecular Weight269.68
XLogP3
Topological Polar Surface Area47
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity432
SMILES
C1=CC=C2C(=C1)C(=O)C=C(C2=O)C3=CN=C(C=C3)Cl
InChI
InChI=1S/C15H8ClNO2/c16-14-6-5-9(8-17-14)12-7-13(18)10-3-1-2-4-11(10)15(12)19/h1-8H
InChIKey
CQXWGFXLHLMTAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anti-infective agent 2
CAS: 2521629-84-3
CID: 162643643
Formula: C15H8ClNO2
MW: 269.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.68
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass269.0243562
Monoisotopic Mass269.0243562
Topological Polar Surface Area47 Ų
Heavy Atom Count19
Formal Charge0
Complexity432
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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