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4SC-207

CAT: 0804-HY-111251Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-111251Size:1 Each
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Description
4SC-207 is a potent, orally active microtubule inhibitor. 4SC-207 inhibits microtubule growth to inhibit tumor cell proliferation in vitro and in vivo, and promotes a mitotic delay/arrest, followed by apoptosis or aberrant divisions. 4SC-207 inhibits tumor growth in taxane resistant xenograft mouse models. 4SC-207 can be used for cancer research, such as colon adenocarcinoma and other malignancies[1].
CAS Number
871015-11-1
UNSPSC
12352005
Target
Apoptosis; Microtubule/Tubulin
Related Pathways
Apoptosis; Cell Cycle/DNA Damage; Cytoskeleton
Field of Research
Cancer
Smiles
O=C(N1CCC(C(C#N)=C(NC(/C=C/C2=CC=CN=C2)=O)S3)=C3C1)OCC
Molecular Formula
C19H18N4O3S
Molecular Weight
382.44
References & Citations
[1]Bausch E, et al. A novel microtubule inhibitor 4SC-207 with anti-proliferative activity in taxane-resistant cells. PLoS One. 2013 Nov 6;8 (11) :e79594.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

CID 72252415
CAS Number871015-11-1
PubChem CID72252415
IUPAC Nameethyl 3-cyano-2-(3-pyridin-3-ylprop-2-enoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
Molecular FormulaC19H18N4O3S
Molecular Weight382.4
XLogP2.5
Topological Polar Surface Area124
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity632
SMILES
CCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C=CC3=CN=CC=C3
InChI
InChI=1S/C19H18N4O3S/c1-2-26-19(25)23-9-7-14-15(10-20)18(27-16(14)12-23)22-17(24)6-5-13-4-3-8-21-11-13/h3-6,8,11H,2,7,9,12H2,1H3,(H,22,24)
InChIKey
KNQCFGQPDILWLT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 72252415
CAS: 871015-11-1
CID: 72252415
Formula: C19H18N4O3S
MW: 382.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.4
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass382.10996162
Monoisotopic Mass382.10996162
Topological Polar Surface Area124 Ų
Heavy Atom Count27
Formal Charge0
Complexity632
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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