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BTT-3033

CAT: 0931-T26917-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T26917-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1259028-99-3
Target
Apoptosis, Integrin
Related Pathways
Cytoskeletal Signaling, Apoptosis
Purity
0.9936
Bioactivity
BTT-3033 is an orally active and potent α2β1 (EC50: 130 nM) inhibitor with an affinity for the α2I domain, inhibiting platelet binding to collagen I and cell proliferation. BTT-3033 induces apoptosis and can be used to study prostate cancer, inflammation, and cardiovascular disease.
Smiles
CN(c1ccc(NC(=O)Nc2ccccc2)cc1)S(=O)(=O)c1cnn(c1)-c1ccc(F)cc1
Molecular Formula
C23H20FN5O3S
Molecular Weight
465.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Btt-3033
CAS Number1259028-99-3
PubChem CID49841251
IUPAC Name1-[4-[[1-(4-fluorophenyl)pyrazol-4-yl]sulfonyl-methylamino]phenyl]-3-phenylurea
Molecular FormulaC23H20FN5O3S
Molecular Weight465.5
XLogP3.3
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity742
SMILES
CN(C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CN(N=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H20FN5O3S/c1-28(33(31,32)22-15-25-29(16-22)21-11-7-17(24)8-12-21)20-13-9-19(10-14-20)27-23(30)26-18-5-3-2-4-6-18/h2-16H,1H3,(H2,26,27,30)
InChIKey
NSLIQOPYDUKWTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Btt-3033
CAS: 1259028-99-3
CID: 49841251
Formula: C23H20FN5O3S
MW: 465.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.5
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass465.12708885
Monoisotopic Mass465.12708885
Topological Polar Surface Area105 Ų
Heavy Atom Count33
Formal Charge0
Complexity742
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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A17200-100BTT-3033 100mg
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