WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 556202
CAS#: 2851993-91-2
Description: HHS-0701, a sulfur-triazole exchange (SuTEx) ligand, is a potent tyrosine-reactive prostaglandin reductase 2 (PTGR2) inhibitor. HHS-0701 blocks PTGR2 metabolism of the lipid substrate 15-Keto-PGE2.SuTEx ligand HHS-0701 as a cell-active inhibitor capable of blocking prostaglandin reductase 2 (PTGR2) biochemical activity.
MedKoo Cat#: 556202
Name: HHS-0701
CAS#: 2851993-91-2
Chemical Formula: C20H20N4O3S
Exact Mass: 396.1256
Molecular Weight: 396.465
Elemental Analysis: C, 60.59; H, 5.08; N, 14.13; O, 12.11; S, 8.09
Synonym: HHS-0701; HHS 0701; HHS0701;
IUPAC/Chemical Name: (4-((1H-1,2,4-triazol-1-yl)sulfonyl)phenyl)(4-phenylpiperidin-1-yl)methanone
InChi Key: LLBIFOHOSLRVRY-UHFFFAOYSA-N
InChi Code: InChI=1S/C20H20N4O3S/c25-20(23-12-10-17(11-13-23)16-4-2-1-3-5-16)18-6-8-19(9-7-18)28(26,27)24-15-21-14-22-24/h1-9,14-15,17H,10-13H2
SMILES Code: O=C(C1=CC=C(S(N2N=CN=C2)(=O)=O)C=C1)N3CCC(C4=CC=CC=C4)CC3
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
The following data is based on the product molecular weight 396.465 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.
| 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 |
Toroitich EK, Ciancone AM, Hahm HS, Brodowski SM, Libby AH, Hsu KL. Discovery of a Cell-Active SuTEx Ligand of Prostaglandin Reductase 2. Chembiochem. 2021 Jun 15;22(12):2134-2139. doi: 10.1002/cbic.202000879. Epub 2021 Apr 29. PMID: 33861519; PMCID: PMC8206015.
Sulfonyl-triazoles have emerged as a new reactive group for covalent modification of tyrosine sites on proteins through sulfur-triazole exchange (SuTEx) chemistry. The extent to which this sulfur electrophile can be tuned for developing ligands with cellular activity remains largely underexplored.
