HS-27, a fluorescent Hsp90 inhibitor, detects Hsp90 expression on the surface of intact tissue specimens. HS-27 consists of core elements of SNX-5422, an Hsp90 inhibitor linked via a PEG linker to a fluorescein analogue (fluorescein isothiocyanate, or FITC), which binds to peripherally expressed Hsp90 combine. HS-27 may be utilized in breast cancer observation and research.

Physicochemical Properties

Molecular Formula	C52H60N6O12S
Molecular Weight	993.130812644959
Exact Mass	992.398
CAS #	1562024-11-6
PubChem CID	72943314
Appearance	Yellow to orange solid powder
LogP	5.4
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	24
Heavy Atom Count	71
Complexity	1740
Defined Atom Stereocenter Count	0
SMILES	S=C(NCCCOCCOCCOCCOCCOCCCNC1=C(C(N)=O)C=CC(=C1)N1C2=C(C(C)=N1)C(CC(C)(C)C2)=O)NC1C=CC2=C(C=1)C(=O)OC12C2C=CC(=CC=2OC2C=C(C=CC1=2)O)O
InChi Key	QUGHMMYGFASWKI-UHFFFAOYSA-N
InChi Code	InChI=1S/C52H60N6O12S/c1-32-47-43(30-51(2,3)31-44(47)61)58(57-32)34-7-10-37(48(53)62)42(27-34)54-14-4-16-64-18-20-66-22-24-68-25-23-67-21-19-65-17-5-15-55-50(71)56-33-6-11-39-38(26-33)49(63)70-52(39)40-12-8-35(59)28-45(40)69-46-29-36(60)9-13-41(46)52/h6-13,26-29,54,59-60H,4-5,14-25,30-31H2,1-3H3,(H2,53,62)(H2,55,56,71)
Chemical Name	2-[3-[2-[2-[2-[2-[3-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
Synonyms	HS27; HS 27
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	HS-27 preferentially binds to Hsp90 expressed on the surface of breast cancer cells before being internalized, labeling all receptor subtypes in breast cancer but not in normal cells. Tumor tissue exhibits stronger HS-27 fluorescence than non-tumor tissue [1].
References	[1]. Exploiting heat shock protein expression to develop a non-invasive diagnostic tool for breast cancer. Sci Rep. 2019 Mar 5;9(1):3461.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~100.69 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (2.52 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (2.52 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 3: 2.08 mg/mL (2.09 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.0069 mL	5.0346 mL	10.0692 mL
	5 mM	0.2014 mL	1.0069 mL	2.0138 mL
	10 mM	0.1007 mL	0.5035 mL	1.0069 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.