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Pimitespib (TAS-116)

CAT: 0957-S7716-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S7716-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1260533-36-5
Target
HSP (HSP90)
Applications
Cytoskeletal Signaling
Smiles
CCC1=C (C=CC (=C1) C (=O) N) N2C3=NC=CC (=C3C (=N2) C (C) C) N4C=C (N=C4) C5=CN (N=C5) C
Molecular Formula
C25H26N8O
Additionnal Information
Pimitespib (TAS-116) is a novel, small-molecule HSP90 inhibitor which inhibits geldanamycin-FITC binding to HSP90 proteins with Ki values of 34.7 nmol/L, 21.3 nmol/L, >50,000 nmol/L, and >50,000 nmol/L for HSP90α, HSP90β, GRP94, and TRAP1, respectively. Furthermore, TAS-116 does not inhibit other ATPases such as HSP70 (IC50 >200 μmol/L) .
Storage Conditions
3 years -20°C powder

Chemical Information

Pimitespib

Tas-116 is pimitespib is a specific inhibitor of heat shock protein 90 (Hsp90) subtypes alpha and beta, with potential antineoplastic and chemo/radiosensitizing activities. Upon oral administration, pimitespib specifically binds to and inhibits the activity of Hsp90 alpha and beta; this results in the proteasomal degradation of oncogenic client proteins, which inhibits client protein dependent-signaling, induces apoptosis, and inhibits the proliferation of cells overexpressing HSP90alpha/beta.

CAS Number1260533-36-5
PubChem CID67501411
IUPAC Name3-ethyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide
Molecular FormulaC25H26N8O
Molecular Weight454.5
XLogP3.1
Topological Polar Surface Area109
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity721
SMILES
CCC1=C(C=CC(=C1)C(=O)N)N2C3=NC=CC(=C3C(=N2)C(C)C)N4C=C(N=C4)C5=CN(N=C5)C
InChI
InChI=1S/C25H26N8O/c1-5-16-10-17(24(26)34)6-7-20(16)33-25-22(23(30-33)15(2)3)21(8-9-27-25)32-13-19(28-14-32)18-11-29-31(4)12-18/h6-15H,5H2,1-4H3,(H2,26,34)
InChIKey
NVVPMZUGELHVMH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pimitespib
CAS: 1260533-36-5
CID: 67501411
Formula: C25H26N8O
MW: 454.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.5
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass454.22295748
Monoisotopic Mass454.22295748
Topological Polar Surface Area109 Ų
Heavy Atom Count34
Formal Charge0
Complexity721
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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