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Cat. No.: HY-145814

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HSP90-IN-9

HSP90-IN-9 is a potent and selective HSP90 inhibitor. HSP90-IN-9 displays a fungicidal effect in a dose-dependent manner. HSP90-IN-9 inhibits fungal biofilm formation and fungal morphological changes after being combined with FLC. HSP90-IN-9 recovers FLC resistance by down-regulating the expression of related genes (ERG11, CDR1 and CDR2).

For research use only. We do not sell to patients.

CAS No.: 2765247-36-5
Formula: C₃₀H₃₁N₃O₅
Molecular Weight:513.58

Storage:

Please store the product under the recommended conditions in the Certificate of Analysis.

Data Sheet (294 KB)

HSP90-IN-9 Chemical Structure

CAS No.: 2765247-36-5

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Use of MCE Products

Fluorescent Dye

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Biological Activity
- Description
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Purity & Documentation
References
Calculators
Help & FAQs
Bioz

Biological Activity

Description

IC₅₀ & Target

HSP90

All HSP Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
A549	IC₅₀	13.12 μM Compound: A17	Cytotoxicity against human A549 cell assessed as inhibition of cell growth after 24 hrs by MTT assay Cytotoxicity against human A549 cell assessed as inhibition of cell growth after 24 hrs by MTT assay	[PMID: 35298171]
BEAS-2B	IC₅₀	>50 μM Compound: A17	Cytotoxicity against human BEAS-2B cell assessed as inhibition of cell growth after 24 hrs by MTT assay Cytotoxicity against human BEAS-2B cell assessed as inhibition of cell growth after 24 hrs by MTT assay	[PMID: 35298171]
BV-2	IC₅₀	10.34 μM Compound: A17	Cytotoxicity against mouse BV-2 cell assessed as inhibition of cell growth after 24 hrs by MTT assay Cytotoxicity against mouse BV-2 cell assessed as inhibition of cell growth after 24 hrs by MTT assay	[PMID: 35298171]
HepG2	IC₅₀	17.45 μM Compound: A17	Cytotoxicity against human HepG2 cell assessed as inhibition of cell growth after 24 hrs by MTT assay Cytotoxicity against human HepG2 cell assessed as inhibition of cell growth after 24 hrs by MTT assay	[PMID: 35298171]
MCF7	IC₅₀	34.09 μM Compound: A17	Cytotoxicity against human MCF7 cell assessed as inhibition of cell growth after 24 hrs by MTT assay Cytotoxicity against human MCF7 cell assessed as inhibition of cell growth after 24 hrs by MTT assay	[PMID: 35298171]
NIH3T3	IC₅₀	21.33 μM Compound: A17	Cytotoxicity against mouse NIH3T3 cell assessed as inhibition of cell growth after 24 hrs by MTT assay Cytotoxicity against mouse NIH3T3 cell assessed as inhibition of cell growth after 24 hrs by MTT assay	[PMID: 35298171]
RAW264.7	IC₅₀	17.05 μM Compound: A17	Cytotoxicity against mouse RAW264.7 cell assessed as inhibition of cell growth after 24 hrs by MTT assay Cytotoxicity against mouse RAW264.7 cell assessed as inhibition of cell growth after 24 hrs by MTT assay	[PMID: 35298171]
THLE-2	IC₅₀	7.15 μM Compound: A17	Cytotoxicity against human THLE-2 cell assessed as inhibition of cell growth after 24 hrs by MTT assay Cytotoxicity against human THLE-2 cell assessed as inhibition of cell growth after 24 hrs by MTT assay	[PMID: 35298171]

In Vitro

HSP90-IN-9 (compound A17) (combined with FLC (2 µg/mL)) shows antifungal activities against the six FLC-resistant Candida albicans (C. albicans) strains (MIC₈₀s of 0.125 µg/mL in strain 901, strain 632, strain 100; MIC₈₀s of 0.25 µg/mL in strain 904, strain 103,strain311, respectively)^[1].
HSP90-IN-9 (24 h) shows low toxic to human cancer cells, human normal cells and the macrophage lineage (IC₅₀s is 13.12, 34.09, 17.45, 7.15, >50, 21.33, 17.05, 10.34 µM in A549, MCF-7, HEPG2, THLE-2, BEAS-2B, NIH-3T3, Raw264.7, BV-2 cells, respectively)^[1].
HSP90-IN-9 (32 μg/mL (combined with FLC (32 μg/mL)), 24 h) inhibits fungal biofilm formation and fungal morphological changes after being combined with FLC^[1].
HSP90-IN-9 (C. albicans (strain 904), 48 h) displays a fungicidal effect in a dose-dependent manner^[1].
HSP90-IN-9 (FLC + compound A17 (32 + 32 μg/mL)) recovers azole sensitivity in resistant C.albicans by down-regulating the expression of CYP51 (ERG11) efflux pump-related genes (CDR1 and CDR2)^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Cell Cytotoxicity Assay^[1]

Cell Line:

A549, MCF-7, HEPG2, THLE-2, BEAS-2B, NIH-3T3, Raw264.7, BV-2 cells
Concentration:
Incubation Time:

24 h
Result:

Showed low toxic to human cancer cells, human normal cells and the macrophage lineage (IC₅₀s of 13.12, 34.09, 17.45, 7.15, >50, 21.33, 17.05, 10.34 µM in A549, MCF-7, HEPG2, THLE-2, BEAS-2B, NIH-3T3, Raw264.7, BV-2 cells, respectively).

RT-PCR^[1]

Cell Line:

Azole-resistant strain 904
Concentration:

32 μg/mL (combined with FLC (32 μg/mL))
Incubation Time:

24 h
Result:

Inhibited fungal biofilm formation and fungal morphological changes after being combined with FLC.

In Vivo

HSP90-IN-9 (10 mg/kg; i.v.) exhibits moderate pharmacokinetic properties in SD rats^[1].
HSP90-IN-9 (A17 (10 mg/kg)+FLC (1 mg/kg); i.p.; once a day for 5 days) exhibits potent in vivo antifungal efficacy by reducing the colonization and dissemination of fungi in tissue^[1].
Pharmacokinetic Parameters of HSP90-IN-9 in male Sprague-Dawley (SD) rats^[1].

dose (mg/kg)	T_1/2 (h)	C₀ (ng/mL)	AUC_(0-t) (h*ng/mL)	AUC_(0-∞) (h*ng/mL)	V_z (L/kg)	Cl (mL/min/kg)	MRT_(0-∞) (h)
10 mg/kg	1.26±0.31	4752.50±44.54	3005.15±35.59	3028.95±54.14	11.25±3.69	101.77±1.96	1.12±0.07

male Sprague-Dawley (SD) rats; 10 mg/kg; i.v.^[1]

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model:

male Sprague-Dawley (SD) rats^[1]
Dosage:

10 mg/kg
Administration:

i.v.
Result:

Exhibited moderate pharmacokinetic properties in SD rats.

Animal Model:

female SD rats, 160-180 g (IFI rat model)^[1]
Dosage:

10 mg/kg, A17 (10 mg/kg)+FLC (1 mg/kg)
Administration:

i.p., once a day, 5 days
Result:

Exhibited potent in vivo antifungal efficacy by reducing the colonization and dissemination of fungi in tissue.

Chemical Information

CAS No. 2765247-36-5
Molecular Weight 513.58
Formula C₃₀H₃₁N₃O₅
SMILES

CCNC(C1=NOC(C2=C(C=C(C(C3=CC=C(C=C3)C)=C2)O)O)=C1C4=CC=C(C=C4)CN5CCOCC5)=O
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (294 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

References

[1]. Yin W, et al. Species-Selective Targeting of Fungal Hsp90: Design, Synthesis, and Evaluation of Novel 4,5-Diarylisoxazole Derivatives for the Combination Treatment of Azole-Resistant Candidiasis. J Med Chem. 2022, 65(7):5539-5564. [Content Brief]

Calculators

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Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Keywords

100 mg

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