MedKoo Cat#: 124856 | Name: HTS07545
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

HTS07545 is a potent first-in-class inhibitor of sulfide:quinone oxidoreductase (SQOR) with an IC₅₀ of 29 nM. It selectively binds to the coenzyme Q-binding pocket of SQOR, exhibiting low cytotoxicity. It mitigates cardiac remodeling, fibrosis, and heart failure progression in animal models, offering a potential therapeutic approach for heart failure with reduced ejection fraction (HFrEF).

Chemical Structure

HTS07545
HTS07545
CAS#118666-03-8

Theoretical Analysis

MedKoo Cat#: 124856

Name: HTS07545

CAS#: 118666-03-8

Chemical Formula: C22H18N2O3

Exact Mass: 358.1317

Molecular Weight: 358.36

Elemental Analysis: C, 73.73; H, 5.06; N, 7.82; O, 13.39

Price and Availability

Size Price Availability Quantity
100mg USD 950.00 2 Weeks
200mg USD 1,650.00 2 Weeks
500mg USD 2,650.00 2 Weeks
1g USD 3,950.00 2 Weeks
2g USD 6,850.00 2 Weeks
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Related CAS #
No Data
Synonym
HTS07545; HTS-07545; HTS 07545
IUPAC/Chemical Name
ethyl 2-((3-cyano-4,6-diphenylpyridin-2-yl)oxy)acetate
InChi Key
PZNJITRXQKRPFY-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H18N2O3/c1-2-26-21(25)15-27-22-19(14-23)18(16-9-5-3-6-10-16)13-20(24-22)17-11-7-4-8-12-17/h3-13H,2,15H2,1H3
SMILES Code
CCOC(=O)COC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 358.36 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Baugh SDP, Jackson MR, Rashad AA, Reitz AB, Lam PYS, Jorns MS. Synthesis and evaluation of potent novel inhibitors of human sulfide:quinone oxidoreductase. Bioorg Med Chem Lett. 2021 Dec 15;54:128443. doi: 10.1016/j.bmcl.2021.128443. Epub 2021 Nov 9. PMID: 34763081; PMCID: PMC8670630.