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S07-2008

CAT: 0013-GTR19186231-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186231-02Size:50 mg
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Description
S07-2008 is a potent and selective AKR1C3 inhibitor with an IC50 of 0.16 μM. It is a research tool for studying hormone-related cancers, such as prostate cancer, and has demonstrated anticancer activity in both cellular and animal model studies.
CAS Number
1090816-80-0
Field of Research
Metabolism Research
Smiles
C (NCCC1=CC=C (S (N) (=O) =O) C=C1) (=O) C2=C (OCC=3C (C) =NOC3C) C=CC=C2
Molecular Formula
C21H23N3O5S
Molecular Weight
429.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CAS Number1090816-80-0
PubChem CID24818185
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
Molecular FormulaC21H23N3O5S
Molecular Weight429.5
XLogP2.4
Topological Polar Surface Area133
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity660
SMILES
CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C21H23N3O5S/c1-14-19(15(2)29-24-14)13-28-20-6-4-3-5-18(20)21(25)23-12-11-16-7-9-17(10-8-16)30(22,26)27/h3-10H,11-13H2,1-2H3,(H,23,25)(H2,22,26,27)
InChIKey
IPNKZNDDUSKIPF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CAS: 1090816-80-0
CID: 24818185
Formula: C21H23N3O5S
MW: 429.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.5
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass429.13584202
Monoisotopic Mass429.13584202
Topological Polar Surface Area133 Ų
Heavy Atom Count30
Formal Charge0
Complexity660
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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