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HSP90-IN-31

CAT: 0804-HY-161833Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-161833Size:1 Each
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Description
HSP90-IN-31 (compound Be01) causes reduction of CD80 and CD86 expression on dendritic cells (DCs). HSP90-IN-31 decreases the production of pro-inflammatory cytokines (IL-6, TNF-α, and IL-1β) in BMDC and peritoneal macrophages stimulated by LPS. Under the delayed-type hypersensitivity (DTH) mice model, HSP90-IN-31 reduces ear swelling and pro-inflammatory cytokines in the spleen[1].
CAS Number
2117645-10-8
UNSPSC
12352005
Target
Interleukin Related; TNF Receptor
Type
Reference compound
Related Pathways
Apoptosis; Immunology/Inflammation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/hsp90-in-31.html
Smiles
CC(C)C1=C(O)C=C(O)C(C(N(C)CC2=CC=C(C(NCCC)=O)C=C2)=O)=C1
Molecular Formula
C22H28N2O4
Molecular Weight
384.47
References & Citations
[1]Hyun Bo Sim, et al. Development of Hsp90 inhibitor to regulate cytokine storms in excessive delayed- and acute inflammation. Int Immunopharmacol. 2024 Aug 20:137:112470.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
IL-1; IL-6

Chemical Information

Hsp90-IN-31
CAS Number2117645-10-8
PubChem CID137440575
IUPAC Name2,4-dihydroxy-N-methyl-5-propan-2-yl-N-[[4-(propylcarbamoyl)phenyl]methyl]benzamide
Molecular FormulaC22H28N2O4
Molecular Weight384.5
XLogP4
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity517
SMILES
CCCNC(=O)C1=CC=C(C=C1)CN(C)C(=O)C2=C(C=C(C(=C2)C(C)C)O)O
InChI
InChI=1S/C22H28N2O4/c1-5-10-23-21(27)16-8-6-15(7-9-16)13-24(4)22(28)18-11-17(14(2)3)19(25)12-20(18)26/h6-9,11-12,14,25-26H,5,10,13H2,1-4H3,(H,23,27)
InChIKey
FPLRZXZDCUKVAU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hsp90-IN-31
CAS: 2117645-10-8
CID: 137440575
Formula: C22H28N2O4
MW: 384.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.5
XLogP34
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass384.20490738
Monoisotopic Mass384.20490738
Topological Polar Surface Area89.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity517
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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