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Hsp90-IN-34

CAT: 0804-HY-167827Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-167827Size:1 Each
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Description
Hsp90-IN-34 (compound HAM-1) is a compound that inhibits the Aha1-Hsp90 chaperone complex with a high affinity for Hsp90/Aha1 (KDapp=23.5 µM) . Hsp90-IN-34 modulates the ATPase activity of Hsp90 by affecting the interaction between Hsp90 and Aha1[1].
CAS Number
439588-33-7
UNSPSC
12352101
Target
HSP
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Metabolic Enzyme/Protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/hsp90-in-34.html
Smiles
N#CC1=C(N)OC2=C(C1C3=CNN=C3C4=CC=C(F)C=C4)C(C5=CC=C(F)C=C5)=NN2
Molecular Formula
C22H14F2N6O
Molecular Weight
416.38
References & Citations
[1]Stiegler S C, et al. A chemical compound inhibiting the Aha1–Hsp90 chaperone complex[J]. Journal of Biological Chemistry, 2017, 292 (41) : 17073-17083.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

6-amino-3-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CAS Number439588-33-7
PubChem CID3942747
IUPAC Name6-amino-3-(4-fluorophenyl)-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Molecular FormulaC22H14F2N6O
Molecular Weight416.4
XLogP3.7
Topological Polar Surface Area116
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity740
SMILES
C1=CC(=CC=C1C2=C(C=NN2)C3C(=C(OC4=NNC(=C34)C5=CC=C(C=C5)F)N)C#N)F
InChI
InChI=1S/C22H14F2N6O/c23-13-5-1-11(2-6-13)19-16(10-27-28-19)17-15(9-25)21(26)31-22-18(17)20(29-30-22)12-3-7-14(24)8-4-12/h1-8,10,17H,26H2,(H,27,28)(H,29,30)
InChIKey
GKUJGEJKDIGMCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-amino-3-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CAS: 439588-33-7
CID: 3942747
Formula: C22H14F2N6O
MW: 416.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.4
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass416.11971542
Monoisotopic Mass416.11971542
Topological Polar Surface Area116 Ų
Heavy Atom Count31
Formal Charge0
Complexity740
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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