HHS-0701 | CAS#2851993-91-2 | SuTEx ligand

MedKoo Cat#: 556202 | Name: HHS-0701

Description:

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

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.

Chemical Structure

HHS-0701

CAS#2851993-91-2

Theoretical Analysis

MedKoo Cat#: 556202

Name: HHS-0701

CAS#: 2851993-91-2

Chemical Formula: C20H20N4O3S

Exact Mass: 396.1256

Molecular Weight: 396.47

Elemental Analysis: C, 60.59; H, 5.08; N, 14.13; O, 12.11; S, 8.09

Price and Availability

Size	Price	Availability
50mg	USD 450.00	2 Weeks
100mg	USD 750.00	2 Weeks
200mg	USD 1,250.00	2 Weeks
500mg	USD 2,650.00	2 Weeks
1g	USD 3,850.00	2 Weeks
2g	USD 6,450.00	2 Weeks

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Related CAS #

No Data

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

More Info

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.

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 396.47 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.