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Hsp90-Cdc37-IN-4

CAT: 0013-GTR19263220-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263220-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Hsp90-Cdc37-IN-4 is a novel derivative of triptolide that inhibits the protein-protein interaction (PPI) between Hsp90 and Cdc37. It selectively inhibits casein kinase 2 (CK 2), reducing the phosphorylation of its substrate Cdc37 at the serine 13 site. Additionally, Hsp90-Cdc37-IN-4 induces cell cycle arrest in the G0/G1 phase and triggers apoptosis via the mitochondrial pathway. This compound exhibits significant anti-breast cancer activity.
CAS Number
2758818-41-4
Field of Research
Cell Biology, Metabolism Research, Signal Transduction, Stem Cell & Developmental Biology
Smiles
C[C@@]12[C@] (C) ([C@]3 ([C@@] (C) (CC1) CC[C@] (C (NCCCOC (/C=C/C4=CC=CC=N4) =O) =O) (C) C3) [H]) CC[C@]5 (C) C2=CC=C6C5=CC (=O) C (O) =C6C
Molecular Formula
C40H50N2O5
Molecular Weight
638.84
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-[[(2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carbonyl]amino]propyl (E)-3-pyridin-2-ylprop-2-enoate
CAS Number2758818-41-4
PubChem CID178203320
IUPAC Name3-[[(2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carbonyl]amino]propyl (E)-3-pyridin-2-ylprop-2-enoate
Molecular FormulaC40H50N2O5
Molecular Weight638.8
XLogP7
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count47
Formal Charge0
Complexity1500
SMILES
CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)NCCCOC(=O)/C=C/C6=CC=CC=N6)C)C)C)C)O
InChI
InChI=1S/C40H50N2O5/c1-26-28-12-13-31-38(4,29(28)24-30(43)34(26)45)18-20-40(6)32-25-37(3,16-15-36(32,2)17-19-39(31,40)5)35(46)42-22-9-23-47-33(44)14-11-27-10-7-8-21-41-27/h7-8,10-14,21,24,32,45H,9,15-20,22-23,25H2,1-6H3,(H,42,46)/b14-11+/t32-,36-,37-,38+,39-,40+/m1/s1
InChIKey
PNFBTNOZOUHSPG-CNMBXMMESA-N
Chemical Structure
2D Structure
2D structure of 3-[[(2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carbonyl]amino]propyl (E)-3-pyridin-2-ylprop-2-enoate
CAS: 2758818-41-4
CID: 178203320
Formula: C40H50N2O5
MW: 638.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight638.8
XLogP37
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass638.37197270
Monoisotopic Mass638.37197270
Topological Polar Surface Area106 Ų
Heavy Atom Count47
Formal Charge0
Complexity1500
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A20095-25Hsp90-Cdc37-IN-1 25mg
A20095-100Hsp90-Cdc37-IN-1 100mg
A20095-5Hsp90-Cdc37-IN-1 5mg
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