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Hsp90-IN-15

CAT: 0804-HY-150655Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-150655Size:1 Each
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Description
Hsp90-IN-15 is an Hsp90 inhibitor with anticancer activity. Hsp90-IN-15 induces cell apoptosis, arrests the cell cycle at S phase and decreases the expression level of Hsp90 in Hela cell[1].
CAS Number
2252283-32-0
UNSPSC
12352005
Target
HSP
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/hsp90-in-15.html
Solubility
10 mM in DMSO
Smiles
[H][C@@]12CCCN3CCC[C@@]([C@@]31[H])([C@]4(CCC5=C(C6=C(N=C5N4C2)C=CC(C(F)(F)F)=C6)N)[H])[H]
Molecular Formula
C23H27F3N4
Molecular Weight
416.48
References & Citations
[1]Xu Y, et al. New modification strategy of matrine as Hsp90 inhibitors based on its specific L conformation for cancer treatment. Bioorg Med Chem. 2020 Feb 15. 28 (4) :115305.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
HSP90

Chemical Information

Hsp90-IN-15
CAS Number2252283-32-0
PubChem CID156020778
IUPAC Name(1R,2R,17S,25S)-9-(trifluoromethyl)-13,15,21-triazahexacyclo[15.7.1.02,15.05,14.07,12.021,25]pentacosa-5,7(12),8,10,13-pentaen-6-amine
Molecular FormulaC23H27F3N4
Molecular Weight416.5
XLogP4.7
Topological Polar Surface Area45.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Heavy Atom Count30
Formal Charge0
Complexity657
SMILES
C1C[C@H]2CN3[C@H](CCC4=C(C5=C(C=CC(=C5)C(F)(F)F)N=C43)N)[C@@H]6[C@H]2N(C1)CCC6
InChI
InChI=1S/C23H27F3N4/c24-23(25,26)14-5-7-18-17(11-14)20(27)16-6-8-19-15-4-2-10-29-9-1-3-13(21(15)29)12-30(19)22(16)28-18/h5,7,11,13,15,19,21H,1-4,6,8-10,12H2,(H2,27,28)/t13-,15+,19+,21-/m0/s1
InChIKey
LHSLAESQIVKBPF-GYBPZWCXSA-N
Chemical Structure
2D Structure
2D structure of Hsp90-IN-15
CAS: 2252283-32-0
CID: 156020778
Formula: C23H27F3N4
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Exact Mass416.21878136
Monoisotopic Mass416.21878136
Topological Polar Surface Area45.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity657
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes