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KW-2478

CAT: 0013-GTR19160237-07Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160237-07Size:25 mg
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Description
KW-2478 is a non-ansamycin HSP90 inhibitor with IC50 of 3.8 nM. (In Vitro) :KW-2478 is an inhibitor of Hsp90, with an IC50 of 3.8 nM for Hsp90α. KW-2478 shows anti-proliferative activity against multiple myeloma (MM) and non-Hodgkin’s lymphoma (NHL), with GI50s of 0.30 μM (OPM-2/GFP), 0.34 μM (KMS-11), 0.39 μM (RPMI 8226), 0.12 μM (NCI-H929), 0.36 μM (Raji), 0.098 μM (SR), and 0.33 μM μM (SC-1) . KW-2478 also inhibits the transcription of c-Maf and Cyclin D1 genes by mainly suppressing the function of Cdk9. (In Vivo) :KW-2478 (25-200 mg/kg, i.v.) inhibits tumor growth in combined immunodeficiency (SCID) mice bearing NCI-H929 cells, without body weight loss. KW-2478 (100 mg/kg, i.v.) causes degradation of the Hsp90 client proteins (IGF-1Rβ, c-Raf-1, Cdk9) levels and dephosphorylated Erk1/2 proteins in NCI-H929 tumors of mice.
CAS Number
819812-04-9
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 83.3 mg/mL; 144.96 mM
Smiles
CCc1c (O) cc (O) c (C (=O) c2cc (OC) c (OCCN3CCOCC3) cc2) c1CC (=O) N (CCOC) CCOC
Molecular Formula
C30H42N2O9
Molecular Weight
574.66
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

KW-2478 free base
CAS Number819812-04-9
PubChem CID23116322
IUPAC Name2-[2-ethyl-3,5-dihydroxy-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)benzoyl]phenyl]-N,N-bis(2-methoxyethyl)acetamide
Molecular FormulaC30H42N2O9
Molecular Weight574.7
XLogP2.6
Topological Polar Surface Area127
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count16
Heavy Atom Count41
Formal Charge0
Complexity773
SMILES
CCC1=C(C(=C(C=C1O)O)C(=O)C2=CC(=C(C=C2)OCCN3CCOCC3)OC)CC(=O)N(CCOC)CCOC
InChI
InChI=1S/C30H42N2O9/c1-5-22-23(19-28(35)32(11-13-37-2)12-14-38-3)29(25(34)20-24(22)33)30(36)21-6-7-26(27(18-21)39-4)41-17-10-31-8-15-40-16-9-31/h6-7,18,20,33-34H,5,8-17,19H2,1-4H3
InChIKey
VFUXSYAXEKYYMB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of KW-2478 free base
CAS: 819812-04-9
CID: 23116322
Formula: C30H42N2O9
MW: 574.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight574.7
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count16
Exact Mass574.28903092
Monoisotopic Mass574.28903092
Topological Polar Surface Area127 Ų
Heavy Atom Count41
Formal Charge0
Complexity773
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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