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KUNB106

CAT: 0013-GTR19273478-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273478-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KUNB106 is a selective inhibitor of Hsp90β with a KD value of 91 nM. It inhibits Hsp90β and Hsp90α with IC50 values of 38 μM and 91 nM, respectively. KUNB106 exhibits antiproliferative activity against MDA-MB-231 cells, A549 cells, and SKOV-3 cells, making it useful for research in triple-negative breast cancer.
CAS Number
2393980-27-1
Smiles
O=C1NC (=CC=2C=C (C=C (C12) N3CCC (O) CC3) N4N=C (C=5C (=O) CC (C) (C) CC54) C) CCC
Molecular Formula
C27H34N4O3
Molecular Weight
462.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

8-(4-hydroxypiperidin-1-yl)-3-propyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)-2H-isoquinolin-1-one
CAS Number2393980-27-1
PubChem CID153370925
IUPAC Name8-(4-hydroxypiperidin-1-yl)-3-propyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)-2H-isoquinolin-1-one
Molecular FormulaC27H34N4O3
Molecular Weight462.6
XLogP3.8
Topological Polar Surface Area87.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity834
SMILES
CCCC1=CC2=CC(=CC(=C2C(=O)N1)N3CCC(CC3)O)N4C5=C(C(=N4)C)C(=O)CC(C5)(C)C
InChI
InChI=1S/C27H34N4O3/c1-5-6-18-11-17-12-19(31-22-14-27(3,4)15-23(33)24(22)16(2)29-31)13-21(25(17)26(34)28-18)30-9-7-20(32)8-10-30/h11-13,20,32H,5-10,14-15H2,1-4H3,(H,28,34)
InChIKey
XQCMRWDZMVGIFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(4-hydroxypiperidin-1-yl)-3-propyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)-2H-isoquinolin-1-one
CAS: 2393980-27-1
CID: 153370925
Formula: C27H34N4O3
MW: 462.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.6
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass462.26309096
Monoisotopic Mass462.26309096
Topological Polar Surface Area87.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity834
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

Alternative Products

CatalogName
HY-178956KUNB106

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