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DHFR-IN-3

CAT: 0804-HY-W003561-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W003561-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DHFR-IN-3 is a dihydrofolate reductase (DHFR) inhibitor with the IC50 values of 19 μM and 12 μM in rat liver and P. carinii DHFR, respectively[1].
CAS Number
137553-43-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Antifolate; Parasite
Type
Reference compound
Related Pathways
Anti-infection; Cell Cycle/DNA Damage
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/dhfr-in-3.html
Concentration
10mM
Purity
99.76
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
NC1=NC(N)=C2C=CC(Br)=CC2=N1
Molecular Formula
C8H7BrN4
Molecular Weight
239.08
Precautions
H302, H315, H319, H335
References & Citations
[1]A Rosowsky, et al. Structure-activity and structure-selectivity studies on diaminoquinazolines and other inhibitors of Pneumocystis carinii and Toxoplasma gondii dihydrofolate reductase. Antimicrob Agents Chemother. 1995 Jan;39 (1) :79-86.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

7-Bromo-2,4-diaminoquinazoline
CAS Number137553-43-6
PubChem CID456247
IUPAC Name7-bromoquinazoline-2,4-diamine
Molecular FormulaC8H7BrN4
Molecular Weight239.07
XLogP1.7
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity189
SMILES
C1=CC2=C(C=C1Br)N=C(N=C2N)N
InChI
InChI=1S/C8H7BrN4/c9-4-1-2-5-6(3-4)12-8(11)13-7(5)10/h1-3H,(H4,10,11,12,13)
InChIKey
YPWBLOIRVSSESG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Bromo-2,4-diaminoquinazoline
CAS: 137553-43-6
CID: 456247
Formula: C8H7BrN4
MW: 239.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.07
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass237.98541
Monoisotopic Mass237.98541
Topological Polar Surface Area77.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity189
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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