Products for Research Use Only
RegisterLogin

DHFR-IN-22

CAT: 0804-HY-159899Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-159899Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
DHFR-IN-22 (Compound 8) is a DHFR (Dihydrofolate Reductase) inhibitor belonging to the class of 2,4-diaminopyrimidine compounds. DHFR-IN-22 exhibits significant inhibitory activity against purified DHFR enzyme and major species of nontuberculous mycobacteria (NTM), namely Mycobacterium avium and Mycobacterium abscessus. It shows an IC50 of 1.1 nM and MIC of 1.5 μg/mL against M. abscessus, and an IC50 of 6.3 nM and MIC of 0.1 μg/mL against M. avium. Additionally, it demonstrates an IC50 of 2100 nM against human DHFR. DHFR-IN-22 holds potential for studying novel strategies to combat NTM infections[1].
CAS Number
2941327-87-1
UNSPSC
12352005
Target
Antibiotic; Bacterial; Dihydrofolate reductase (DHFR)
Type
Reference compound
Related Pathways
Anti-infection; Metabolic Enzyme/Protease
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/dhfr-in-22.html
Smiles
O=C(O)CCC1=C(OCCCOC2=C(N)N=C(N)N=C2C3CCCCC3)C=CC=C1
Molecular Formula
C22H30N4O4
Molecular Weight
414.50
References & Citations
[1]Andrade Meirelles M, et al. Rational Exploration of 2,4-Diaminopyrimidines as DHFR Inhibitors Active against Mycobacterium abscessus and Mycobacterium avium, Two Emerging Human Pathogens. J Med Chem. 2024 Nov 14;67 (21) :19143-19164.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-(2-{3-[(2,4-Diamino-6-cyclohexylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid
CAS Number2941327-87-1
PubChem CID171920656
IUPAC Name3-[2-[3-(2,4-diamino-6-cyclohexylpyrimidin-5-yl)oxypropoxy]phenyl]propanoic acid
Molecular FormulaC22H30N4O4
Molecular Weight414.5
XLogP3.5
Topological Polar Surface Area134
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity517
SMILES
C1CCC(CC1)C2=C(C(=NC(=N2)N)N)OCCCOC3=CC=CC=C3CCC(=O)O
InChI
InChI=1S/C22H30N4O4/c23-21-20(19(25-22(24)26-21)16-8-2-1-3-9-16)30-14-6-13-29-17-10-5-4-7-15(17)11-12-18(27)28/h4-5,7,10,16H,1-3,6,8-9,11-14H2,(H,27,28)(H4,23,24,25,26)
InChIKey
LMSJEWOKYLUOAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-{3-[(2,4-Diamino-6-cyclohexylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid
CAS: 2941327-87-1
CID: 171920656
Formula: C22H30N4O4
MW: 414.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.5
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass414.22670545
Monoisotopic Mass414.22670545
Topological Polar Surface Area134 Ų
Heavy Atom Count30
Formal Charge0
Complexity517
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

Related Products

CatalogName
HY-168069DHFR-IN-20
HY-149699DHFR-IN-12
HY-143236DHFR-IN-1
HY-156122DHFR-IN-8
HY-161010DHFR-IN-13
HY-179415DHFR-IN-24
HY-173220DHFR-IN-23
HY-156414DHFR-IN-11
HY-162656DHFR-IN-19
HY-156412DHFR-IN-10

Alternative Products

CatalogName
T203218-01DHFR-IN-22
ant-596DHFR
222154-01DHFR (Dihydrofolate Reductase, DHFR) discontinued
10R-3832DHFR antibody
T208977-01DHFR-IN-15
T208229-01DHFR-IN-12
T200479-01DHFR-IN-20
501533DHFR, NT
T61486-01DHFR-IN-4
388289-01DHFR discontinued

Popular Products