MedKoo Cat#: 555436 | Name: BAY-1316957

Description:

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

BAY-1316957 is a highly potent, selective, orally available human prostaglandin E2 receptor subtype 4 (hEP4-R) antagonist (IC50= 15.3 nM ) with excellent drug metabolism and pharmacokinetics properties. Notably, treatment with BAY 1316957 can be expected to lead to prominent and rapid pain relief and significant improvement of the patient’s quality of life.

Chemical Structure

BAY-1316957
BAY-1316957
CAS#1613264-40-6

Theoretical Analysis

MedKoo Cat#: 555436

Name: BAY-1316957

CAS#: 1613264-40-6

Chemical Formula: C27H27N3O3

Exact Mass: 441.2052

Molecular Weight: 441.53

Elemental Analysis: C, 73.45; H, 6.16; N, 9.52; O, 10.87

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
BAY-1316957; BAY 1316957; BAY1316957;
IUPAC/Chemical Name
2-(9-Ethyl-6-methyl-9H-carbazol-3-yl)-1-(2-methoxyethyl)-4-methyl-1H-benzimidazole-5-carboxylic acid
InChi Key
FHXIZAPGGULPIK-UHFFFAOYSA-N
InChi Code
InChI=1S/C27H27N3O3/c1-5-29-22-9-6-16(2)14-20(22)21-15-18(7-10-23(21)29)26-28-25-17(3)19(27(31)32)8-11-24(25)30(26)12-13-33-4/h6-11,14-15H,5,12-13H2,1-4H3,(H,31,32)
SMILES Code
O=C(C1=CC=C2C(N=C(C3=CC4=C(C=C3)N(CC)C5=C4C=C(C)C=C5)N2CCOC)=C1C)O
Appearance
Solid powder
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
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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
The presence and growth of endometrial tissue outside the uterine cavity in endometriosis patients are primarily driven by hormone-dependent and inflammatory processesthe latter being frequently associated with severe, acute, and chronic pelvic pain. The EP4 subtype of prostaglandin E2 (PGE2) receptors (EP4-R) is a particularly promising antiinflammatory and antinociceptive target as both this receptor subtype and the pathways forming PGE2 are highly expressed in endometriotic lesions.

Preparing Stock Solutions

The following data is based on the product molecular weight 441.53 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
Identification of a Benzimidazolecarboxylic Acid Derivative (BAY 1316957) as a Potent and Selective Human Prostaglandin E2 Receptor Subtype 4 (hEP4-R) Antagonist for the Treatment of Endometriosis Stefan Bäurle, Jens Nagel, Olaf Peters, Nico Bräuer, Antonius ter Laak, Cornelia Preusse, Antje Rottmann, Dieter Heldmann, Ulrich Bothe, Thorsten Blume, Ludwig Zorn, Daryl Walter, Thomas M. Zollner, Andreas Steinmeyer, and Gernot Langer Publication Date (Web): February 1, 2019 (Article) DOI: 10.1021/acs.jmedchem.8b01862