Products for Research Use Only
RegisterLogin

DU172

CAT: 0013-GTR19210624-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19210624-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
DU172 is a small molecule, covalent antagonist that selectively targets the adenosine A1 receptor by binding to a tyrosine residue. It is a research tool used in vitro and in vivo to study A1R signaling and its potential therapeutic roles in conditions like cardiac ischemia and renal disease.
CAS Number
321907-03-3
Smiles
C (CCNC (=O) C1=CC=C (S (F) (=O) =O) C=C1) N2C3=C (NC (=N3) C4CCCCC4) C (=O) N (CCC) C2=O
Molecular Formula
C24H30FN5O5S
Molecular Weight
519.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propylcarbamoyl]-benzenesulfonyl fluoride
CAS Number321907-03-3
PubChem CID10839674
IUPAC Name4-[3-(8-cyclohexyl-2,6-dioxo-1-propyl-7H-purin-3-yl)propylcarbamoyl]benzenesulfonyl fluoride
Molecular FormulaC24H30FN5O5S
Molecular Weight519.6
XLogP5.1
Topological Polar Surface Area141
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity914
SMILES
CCCN1C(=O)C2=C(N=C(N2)C3CCCCC3)N(C1=O)CCCNC(=O)C4=CC=C(C=C4)S(=O)(=O)F
InChI
InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28)
InChIKey
KAJVJPLKXGLLDA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propylcarbamoyl]-benzenesulfonyl fluoride
CAS: 321907-03-3
CID: 10839674
Formula: C24H30FN5O5S
MW: 519.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight519.6
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass519.19516841
Monoisotopic Mass519.19516841
Topological Polar Surface Area141 Ų
Heavy Atom Count36
Formal Charge0
Complexity914
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
T69450-01DU172
IT-001-RC2p-01Gp120 (Du172.17) (Clade C)
DAG1824HIV type 1 Glycoprotein 120 (aa 40 - 506)(Du172.17) [His]
DAG2045HIV type 1 Glycoprotein 120 (aa 40 - 508)(Du172.17) [His]
MBS434046-01HIV-1 gp120 (Du172.17) (Clade C) protein (amino acid 40-508)

Popular Products