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Tetroxoprim

CAT: 0804-HY-107033-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-107033-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tetroxoprim is an antimicrobial DHFR inhibitor[1].
CAS Number
53808-87-0
Product Name Alternative
HE 781
UNSPSC
12352005
Target
Antifolate
Related Pathways
Cell Cycle/DNA Damage
Applications
COVID-19-anti-virus
Field of Research
Infection; Inflammation/Immunology
Concentration
10mM
Purity
99.32
Solubility
DMSO : 16.67 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
COCCOC1=C(C=C(CC2=CN=C(N)N=C2N)C=C1OC)OC
Molecular Formula
C16H22N4O4
Molecular Weight
334.37
References & Citations
[1]H S Aschhoff, et al. Tetroxoprim--a new inhibitor of bacterial dihydrofolate reductase. J Antimicrob Chemother. 1979 Nov;5 (B) :19-25.
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

Tetroxoprim

Tetroxoprim is a dimethoxybenzene.

CAS Number53808-87-0
PubChem CID65450
IUPAC Name5-[[3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine
Molecular FormulaC16H22N4O4
Molecular Weight334.37
XLogP0.6
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity349
SMILES
COCCOC1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC
InChI
InChI=1S/C16H22N4O4/c1-21-4-5-24-14-12(22-2)7-10(8-13(14)23-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)
InChIKey
WSWJIZXMAUYHOE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tetroxoprim
CAS: 53808-87-0
CID: 65450
Formula: C16H22N4O4
MW: 334.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.37
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass334.16410520
Monoisotopic Mass334.16410520
Topological Polar Surface Area115 Ų
Heavy Atom Count24
Formal Charge0
Complexity349
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
BA3704-25Tetroxoprim

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