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JPD447

CAT: 0804-HY-139628-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-139628-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
JPD447, a MAC-0547630 derivative, is a novel class of UppS inhibitor to potentiate β-lactam antibiotics.
CAS Number
2883235-86-5
UNSPSC
12352005
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Infection
Assay Protocol
https://www.medchemexpress.com/jpd447.html
Purity
99.80
Solubility
DMSO : 100 mg/mL (ultrasonic; warming; heat to 80°C)
Smiles
FC(C=C1)=CC=C1C2=C3N(N=C2)C(N4CCCCCC4)=CC(CC)=N3
Molecular Formula
C20H23FN4
Molecular Weight
338.42
References & Citations
[1]Workman SD, et al. Structural Insights into the Inhibition of Undecaprenyl Pyrophosphate Synthase from Gram-Positive Bacteria. J Med Chem. 2021 Sep 23;64 (18) :13540-13550.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

7-(Azepan-1-yl)-5-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine
CAS Number2883235-86-5
PubChem CID156587346
IUPAC Name7-(azepan-1-yl)-5-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine
Molecular FormulaC20H23FN4
Molecular Weight338.4
XLogP4.5
Topological Polar Surface Area33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity418
SMILES
CCC1=NC2=C(C=NN2C(=C1)N3CCCCCC3)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H23FN4/c1-2-17-13-19(24-11-5-3-4-6-12-24)25-20(23-17)18(14-22-25)15-7-9-16(21)10-8-15/h7-10,13-14H,2-6,11-12H2,1H3
InChIKey
BQIPJVLJUIILIA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-(Azepan-1-yl)-5-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine
CAS: 2883235-86-5
CID: 156587346
Formula: C20H23FN4
MW: 338.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.4
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass338.19067491
Monoisotopic Mass338.19067491
Topological Polar Surface Area33.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity418
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

Alternative Products

CatalogName
GTR19221465-01JPD447

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