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Taladegib (LY2940680)

CAT: 0957-S2157Size: 5 mgDry Ice: YesHazardous: No
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CAT#:0957-S2157Size:5 mg
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Description
Taladegib (LY2940680) binds to the Smoothened (Smo) receptor and potently inhibits Hedgehog (Hh) signaling. Phase 1/2.
CAS Number
1258861-20-9
Target
Hedgehog/Smoothened
Activity
Stem Cells & Wnt
Molecular Formula
C26H24F4N6O
Storage Conditions
2 years -80 in solvent

Chemical Information

Taladegib

Taladegib has been used in trials studying the treatment of Solid Tumor, COLON CANCER, BREAST CANCER, Advanced Cancer, and Rhabdomyosarcoma, among others.

CAS Number1258861-20-9
PubChem CID49848070
IUPAC Name4-fluoro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
Molecular FormulaC26H24F4N6O
Molecular Weight512.5
XLogP4.3
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity794
SMILES
CN1C(=CC=N1)C2=NN=C(C3=CC=CC=C32)N4CCC(CC4)N(C)C(=O)C5=C(C=C(C=C5)F)C(F)(F)F
InChI
InChI=1S/C26H24F4N6O/c1-34(25(37)20-8-7-16(27)15-21(20)26(28,29)30)17-10-13-36(14-11-17)24-19-6-4-3-5-18(19)23(32-33-24)22-9-12-31-35(22)2/h3-9,12,15,17H,10-11,13-14H2,1-2H3
InChIKey
SZBGQDXLNMELTB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Taladegib
CAS: 1258861-20-9
CID: 49848070
Formula: C26H24F4N6O
MW: 512.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.5
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass512.19477206
Monoisotopic Mass512.19477206
Topological Polar Surface Area67.2 Ų
Heavy Atom Count37
Formal Charge0
Complexity794
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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