Products for Research Use Only

IMD-catechol

CAT: 0013-GTR19212530-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212530-01Size:25 mg
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Description
IMD-catechol is a novel imidazoquinolinone dimer with NF-κB immunomodulatory properties. It demonstrates enhanced efficacy in the CT26 murine colon carcinoma model with minimal adjuvant toxicity, supporting its investigation in immuno-oncology and adjuvant research for both in vitro and in vivo applications.
CAS Number
2928463-39-0
Field of Research
Signal Transduction
Smiles
CCCCC1=NC2=C (N1CC3=CC=C (C=C3) CNC (=O) NCCC4=CC (=C (C=C4) O) O) C5=CC=CC=C5N=C2N
Molecular Formula
C31H34N6O3
Molecular Weight
538.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

IMD-catechol
CAS Number2928463-39-0
PubChem CID163323742
IUPAC Name1-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-3-[2-(3,4-dihydroxyphenyl)ethyl]urea
Molecular FormulaC31H34N6O3
Molecular Weight538.6
XLogP4.9
Topological Polar Surface Area138
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count40
Formal Charge0
Complexity795
SMILES
CCCCC1=NC2=C(N1CC3=CC=C(C=C3)CNC(=O)NCCC4=CC(=C(C=C4)O)O)C5=CC=CC=C5N=C2N
InChI
InChI=1S/C31H34N6O3/c1-2-3-8-27-36-28-29(23-6-4-5-7-24(23)35-30(28)32)37(27)19-22-11-9-21(10-12-22)18-34-31(40)33-16-15-20-13-14-25(38)26(39)17-20/h4-7,9-14,17,38-39H,2-3,8,15-16,18-19H2,1H3,(H2,32,35)(H2,33,34,40)
InChIKey
XIUYQOKKDQPUCV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of IMD-catechol
CAS: 2928463-39-0
CID: 163323742
Formula: C31H34N6O3
MW: 538.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight538.6
XLogP34.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass538.26923897
Monoisotopic Mass538.26923897
Topological Polar Surface Area138 Ų
Heavy Atom Count40
Formal Charge0
Complexity795
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