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SIC-19

CAT: 0931-T88487-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T88487-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
713112-69-7
Target
SIK
Related Pathways
PI3K/Akt/mTOR signaling
Bioactivity
SIC-19, a SIK2 inhibitor, functions by promoting the degradation of SIK2 protein via the ubiquitination pathway. It inhibits the growth of cancer cells and sensitizes cells, ovarian cancer organoids, and xenograft models to PARP inhibitors (such as Olaparib) .
Smiles
O=C(NC(=S)NNC(=O)C1=C(SC(=C1C2=CC=C(OC)C(OC)=C2)C)NC(=O)C=3C=CC=CC3)C=4C=CC=CC4
Molecular Formula
C29H26N4O5S2
Molecular Weight
574.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[3-[(benzoylcarbamothioylamino)carbamoyl]-4-(3,4-dimethoxyphenyl)-5-methylthiophen-2-yl]benzamide
CAS Number713112-69-7
PubChem CID2965158
IUPAC NameN-[3-[(benzoylcarbamothioylamino)carbamoyl]-4-(3,4-dimethoxyphenyl)-5-methylthiophen-2-yl]benzamide
Molecular FormulaC29H26N4O5S2
Molecular Weight574.7
XLogP6.5
Topological Polar Surface Area178
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count40
Formal Charge0
Complexity896
SMILES
CC1=C(C(=C(S1)NC(=O)C2=CC=CC=C2)C(=O)NNC(=S)NC(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C29H26N4O5S2/c1-17-23(20-14-15-21(37-2)22(16-20)38-3)24(28(40-17)30-25(34)18-10-6-4-7-11-18)27(36)32-33-29(39)31-26(35)19-12-8-5-9-13-19/h4-16H,1-3H3,(H,30,34)(H,32,36)(H2,31,33,35,39)
InChIKey
DDRJMJOCSMOIBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3-[(benzoylcarbamothioylamino)carbamoyl]-4-(3,4-dimethoxyphenyl)-5-methylthiophen-2-yl]benzamide
CAS: 713112-69-7
CID: 2965158
Formula: C29H26N4O5S2
MW: 574.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight574.7
XLogP36.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass574.13446229
Monoisotopic Mass574.13446229
Topological Polar Surface Area178 Ų
Heavy Atom Count40
Formal Charge0
Complexity896
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