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Rosabulin

CAT: 0931-T16788-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T16788-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
501948-05-6
Target
Microtubule Associated
Related Pathways
Cytoskeletal Signaling
Purity
0.9886
Bioactivity
V Rosabulin (STA 5312) is an orally active microtubule inhibitor with potency. Rosabulin inhibits microtubule assembly and has broad-spectrum antitumor activity.
Smiles
Cc1cc(NC(=O)C(=O)c2cc(Cc3ccc(cc3)C#N)n3ccccc23)sn1
Molecular Formula
C22H16N4O2S
Molecular Weight
400.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Rosabulin

Rosabulin is a small molecule drug. Rosabulin is under investigation in clinical trial NCT00276913 (A Phase I Study of STA-5312 in Subjects With Advanced or Metastatic Solid Tumors). Rosabulin has a monoisotopic molecular weight of 400.1 Da.

CAS Number501948-05-6
PubChem CID9843935
IUPAC Name2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
Molecular FormulaC22H16N4O2S
Molecular Weight400.5
XLogP4.7
Topological Polar Surface Area116
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity669
SMILES
CC1=NSC(=C1)NC(=O)C(=O)C2=C3C=CC=CN3C(=C2)CC4=CC=C(C=C4)C#N
InChI
InChI=1S/C22H16N4O2S/c1-14-10-20(29-25-14)24-22(28)21(27)18-12-17(26-9-3-2-4-19(18)26)11-15-5-7-16(13-23)8-6-15/h2-10,12H,11H2,1H3,(H,24,28)
InChIKey
IZZYUABKZYIINT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rosabulin
CAS: 501948-05-6
CID: 9843935
Formula: C22H16N4O2S
MW: 400.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.5
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass400.09939694
Monoisotopic Mass400.09939694
Topological Polar Surface Area116 Ų
Heavy Atom Count29
Formal Charge0
Complexity669
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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Alternative Products

CatalogName
BA4261-5.1Rosabulin
A21254-50Rosabulin 50mg
A21254-25Rosabulin 25mg
A21254-100Rosabulin 100mg
A21254-10Rosabulin 10mg
A21254-5Rosabulin 5mg
A21254-1Rosabulin 1mg
A21254-10mM-DRosabulin 10mM * 1mL in DMSO

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