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DU172

CAT: 0931-T69450-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T69450-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
321907-03-3
Target
Others
Related Pathways
Others
Bioactivity
DU172 is the tyrosine-targeted covalent adenosine A1 receptor antagonist.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
MBS5811997DU172
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)

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