Ebopiprant HCl| CAS# 2005486-32-6 | F2α Receptor Antagonist

MedKoo Cat#: 564467 | Name: Ebopiprant HCl

Description:

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

Ebopiprant, also known as OBE-022, is an Oral and Selective Prostaglandin F 2α Receptor Antagonist as an Effective and Safe Modality for the Treatment of Preterm Labor. OBE022 exhibits potent tocolytic effects on human tissues ex vivo and animal models in vivo without causing the adverse fetal side effects seen with indomethacin.

Chemical Structure

Ebopiprant HCl

CAS#2005486-32-6 (HCl)

Theoretical Analysis

MedKoo Cat#: 564467

Name: Ebopiprant HCl

CAS#: 2005486-32-6 (HCl)

Chemical Formula: C30H35ClFN3O5S2

Exact Mass: 599.1924

Molecular Weight: 636.19

Elemental Analysis: C, 56.64; H, 5.55; Cl, 5.57; F, 2.99; N, 6.61; O, 12.57; S, 10.08

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 #

2005486-31-5 (free base) 2005486-32-6 (HCl) 2005486-34-8 (fumarate) 2005486-33-7 (sulfate) 2005486-42-8 (tosylate) 2005486-37-1 (citrate) 2005486-38-2 (esylate)

Synonym

OBE-022; OBE 022; OBE022; Ebopiprant HCl; Ebopiprant hydrochloride

IUPAC/Chemical Name

(S)-3-((S)-3-([1,1'-Biphenyl]-4-ylsulfonyl)thiazolidine-2-carboxamido)-3-(4-fluorophenyl)propyl L-valinate hydrochloride

InChi Key

BKHLLRSGQHTVMA-LKJZLNBCSA-N

InChi Code

InChI=1S/C30H34FN3O5S2.ClH/c1-20(2)27(32)30(36)39-18-16-26(23-8-12-24(31)13-9-23)33-28(35)29-34(17-19-40-29)41(37,38)25-14-10-22(11-15-25)21-6-4-3-5-7-21;/h3-15,20,26-27,29H,16-19,32H2,1-2H3,(H,33,35);1H/t26-,27-,29+;/m0./s1

SMILES Code

N[C@@H](C(C)C)C(OCC[C@H](NC([C@@H]1N(CCS1)S(C(C=C2)=CC=C2C3=CC=CC=C3)(=O)=O)=O)C4=CC=C(F)C=C4)=O.[H]Cl

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

2934.99.03.00

More Info

Preterm birth is the major challenge in obstetrics, affecting ∼10% of pregnancies. Pan-prostaglandin synthesis inhibitors [nonsteroidal anti-inflammatory drugs (NSAIDs)] prevent preterm labor and prolong pregnancy but raise concerns about fetal renal and cardiovascular safety.

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 636.19 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

1: Coates S, Pohl O, Gotteland JP, Täubel J, Lorch U. Efficient Design of Integrated and Adaptively Interlinked Protocols for Early-Phase Drug Development Programs. Ther Innov Regul Sci. 2020 Jan;54(1):184-194. doi: 10.1007/s43441-019-00044-y. Epub 2020 Jan 6. PMID: 32008245. 2: Pohl O, Marchand L, Gotteland JP, Coates S, Täubel J, Lorch U. Coadministration of the prostaglandin F2α receptor antagonist preterm labour drug candidate OBE022 with magnesium sulfate, atosiban, nifedipine and betamethasone. Br J Clin Pharmacol. 2019 Jul;85(7):1516-1527. doi: 10.1111/bcp.13925. Epub 2019 May 11. PMID: 30891820; PMCID: PMC6595366. 3: Pohl O, Chollet A, Kim SH, Riaposova L, Spézia F, Gervais F, Guillaume P, Lluel P, Méen M, Lemaux F, Terzidou V, Bennett PR, Gotteland JP. OBE022, an Oral and Selective Prostaglandin F2α Receptor Antagonist as an Effective and Safe Modality for the Treatment of Preterm Labor. J Pharmacol Exp Ther. 2018 Aug;366(2):349-364. doi: 10.1124/jpet.118.247668. Epub 2018 May 18. PMID: 29777040. 4: Pohl O, Marchand L, Gotteland JP, Coates S, Täubel J, Lorch U. Pharmacokinetics, safety and tolerability of OBE022, a selective prostaglandin F2α receptor antagonist tocolytic: A first-in-human trial in healthy postmenopausal women. Br J Clin Pharmacol. 2018 Aug;84(8):1839-1855. doi: 10.1111/bcp.13622. Epub 2018 Jun 5. PMID: 29708281; PMCID: PMC6046484. 5: Täubel J, Lorch U, Coates S, Fernandes S, Foley P, Ferber G, Gotteland JP, Pohl O. Confirmation of the Cardiac Safety of PGF2α Receptor Antagonist OBE022 in a First-in-Human Study in Healthy Subjects, Using Intensive ECG Assessments. Clin Pharmacol Drug Dev. 2018 Nov;7(8):889-900. doi: 10.1002/cpdd.447. Epub 2018 Feb 28. PMID: 29489066; PMCID: PMC6221050.