BAY-1316957

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

MedKoo CAT#: 555436

CAS#: 1613264-40-6

Description: 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.


Price and Availability

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BAY-1316957 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 555436
Name: BAY-1316957
CAS#: 1613264-40-6
Chemical Formula: C27H27N3O3
Exact Mass: 441.2052
Molecular Weight: 441.531
Elemental Analysis: C, 73.45; H, 6.16; N, 9.52; O, 10.87


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


Technical Data

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).

Harmonized System Code:
2934990300


Additional Information

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.


References

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