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NCT-58

CAT: 0013-GTR19166644-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19166644-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NCT-58 is a C-terminal HSP90 inhibitor that suppresses the HER family and Akt phosphorylation without triggering the heat shock response. It demonstrates anti-tumor efficacy by inducing apoptosis in HER2-positive cells and eliminating trastuzumab-resistant breast cancer stem-like cells in vitro.
CAS Number
2411429-33-7
Product Name Alternative
NCT 58, NCT58, NCT-58, HSP90
Field of Research
Cell Biology, Metabolism Research, Signal Transduction
Purity
98.75% (May vary between batches)
Solubility
DMSO:40 mg/mL (85.73 mM)
Smiles
COc1cc (NC (=O) c2ccc3OC (C) (C) C=Cc3c2OC) ccc1OCCC1CCCCN1
Molecular Formula
C27H34N2O5
Molecular Weight
466.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Methoxy-N-[3-methoxy-4-[2-(2-piperidinyl)ethoxy]phenyl]-2,2-dimethyl-2H-1-benzopyran-6-carboxamide
CAS Number2411429-33-7
PubChem CID149033485
IUPAC Name5-methoxy-N-[3-methoxy-4-(2-piperidin-2-ylethoxy)phenyl]-2,2-dimethylchromene-6-carboxamide
Molecular FormulaC27H34N2O5
Molecular Weight466.6
XLogP4.4
Topological Polar Surface Area78.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity699
SMILES
CC1(C=CC2=C(O1)C=CC(=C2OC)C(=O)NC3=CC(=C(C=C3)OCCC4CCCCN4)OC)C
InChI
InChI=1S/C27H34N2O5/c1-27(2)14-12-20-22(34-27)11-9-21(25(20)32-4)26(30)29-19-8-10-23(24(17-19)31-3)33-16-13-18-7-5-6-15-28-18/h8-12,14,17-18,28H,5-7,13,15-16H2,1-4H3,(H,29,30)
InChIKey
QGEKYFVMAGLOKW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methoxy-N-[3-methoxy-4-[2-(2-piperidinyl)ethoxy]phenyl]-2,2-dimethyl-2H-1-benzopyran-6-carboxamide
CAS: 2411429-33-7
CID: 149033485
Formula: C27H34N2O5
MW: 466.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.6
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass466.24677219
Monoisotopic Mass466.24677219
Topological Polar Surface Area78.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity699
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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