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HSP90-IN-19

CAT: 0804-HY-152028Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-152028Size:1 Each
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Description
HSP90-IN-19 is an effective heat shock protein 90 (Hsp90) inhibitor. HSP90-IN-19 has effective Hsp90 inhibitory activity with an IC50 value of 0.27 μM. HSP90-IN-19 can be used for the research of viral infection, neurodegenerative disease, and inflammation[1].
CAS Number
2927442-48-4
UNSPSC
12352005
Target
HSP
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Metabolic Enzyme/Protease
Applications
COVID-19-anti-virus
Field of Research
Cancer; Infection; Inflammation/Immunology; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/hsp90-in-19.html
Solubility
10 mM in DMSO
Smiles
C/C(C)=C\CC[C@]1(CC=C(C2=C([C@@H]1/C=C/OC(/C=C(C)/C)=O)C=C(O2)C)COC(CCC(O)=O)=O)C
Molecular Formula
C29H38O7
Molecular Weight
498.61
References & Citations
[1]Meng Li, et al. Design, synthesis and biological evaluation of a new class of Hsp90 inhibitors vibsanin C derivatives. Eur J Med Chem. 2022 Dec 15;244:114844.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Hsp90-IN-19
CAS Number2927442-48-4
PubChem CID166177037
IUPAC Name4-[[(4R,5S)-2,5-dimethyl-4-[(E)-2-(3-methylbut-2-enoyloxy)ethenyl]-5-(4-methylpent-3-enyl)-4,6-dihydrocyclohepta[b]furan-8-yl]methoxy]-4-oxobutanoic acid
Molecular FormulaC29H38O7
Molecular Weight498.6
XLogP5.8
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Heavy Atom Count36
Formal Charge0
Complexity918
SMILES
CC1=CC2=C(O1)C(=CC[C@]([C@H]2/C=C/OC(=O)C=C(C)C)(C)CCC=C(C)C)COC(=O)CCC(=O)O
InChI
InChI=1S/C29H38O7/c1-19(2)8-7-13-29(6)14-11-22(18-35-26(32)10-9-25(30)31)28-23(17-21(5)36-28)24(29)12-15-34-27(33)16-20(3)4/h8,11-12,15-17,24H,7,9-10,13-14,18H2,1-6H3,(H,30,31)/b15-12+/t24-,29-/m0/s1
InChIKey
RFOZWSQGWRHUBD-WCJYFFLOSA-N
Chemical Structure
2D Structure
2D structure of Hsp90-IN-19
CAS: 2927442-48-4
CID: 166177037
Formula: C29H38O7
MW: 498.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.6
XLogP35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Exact Mass498.26175355
Monoisotopic Mass498.26175355
Topological Polar Surface Area103 Ų
Heavy Atom Count36
Formal Charge0
Complexity918
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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