Ralinepag
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MedKoo CAT#: 319555

CAS#: 1187856-49-0 (free base)

Description: Ralinepag (APD-811) is an orally available agonist of the prostacyclin (IP) receptor intended for the treatment of vasospastic diseases such as Pulmonary Arterial Hypertension. Ralinepag has the potential to mimic prostacyclin -- the major product of cyclooxygenase -- in macrovascular endothelium This elicits a potent vasodilation response and inhibition of platelet aggregation when binding to this receptor.

Chemical Structure

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Ralinepag
CAS# 1187856-49-0 (free base)
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 319555
Name: Ralinepag
CAS#: 1187856-49-0 (free base)
Chemical Formula: C23H26ClNO5
Exact Mass: 431.15
Molecular Weight: 431.910
Elemental Analysis: C, 63.96; H, 6.07; Cl, 8.21; N, 3.24; O, 18.52

Price and Availability

Size Price Availability Quantity
1mg USD 210 2 Weeks
5mg USD 400 2 Weeks
10mg USD 640 2 Weeks
25mg USD 855 2 Weeks
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Related CAS #: 1187856-49-0 (free base)   1187857-75-5 (sodium)  

Synonym: APD-811; APD 811; APD811; Ralinepag

IUPAC/Chemical Name: 2-(((1r,4r)-4-((((4-chlorophenyl)(phenyl)carbamoyl)oxy)methyl)cyclohexyl)methoxy)acetic acid

InChi Key: NPDKXVKJRHPDQT-IYARVYRRSA-N

InChi Code: InChI=1S/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)/t17-,18-

SMILES Code: O=C(O)COC[C@H]1CC[C@H](COC(N(C2=CC=C(Cl)C=C2)C3=CC=CC=C3)=O)CC1

Appearance: Solid powder

Purity: >95% (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, DMF, and ethanol

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO, DMF, and ethanol

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:

Product Data:
Product Data
Instruction:
View handling instruction
Biological target: Ralinepag shows no effect on cytochrome P450 enzymes (IC50 > 50 μM for CYPs 1A2, 2D6, 3A4 2C8, 2C9, and 2C19) or hERG channel functional activity in a patch clamp assay (IC50 > 30 μM). Ralinepag also inhibits the ADP-induced human platelet aggregation, with an IC50 of 38 nM. It is a non-prostanoid prostacyclin receptor agonist, with EC50s of 8.5 nM, 530 nM and 850 nM for human and rat IP receptor and human DP1 receptor, respectively.
In vitro activity: To be determined
In vivo activity: Ralinepag reduced pulmonary vascular resistance compared with placebo in pulmonary arterial hypertension patients on mono or dual combination background therapy. Reference: Eur Respir J. 2019 Oct 10;54(4):1901030. https://pubmed.ncbi.nlm.nih.gov/31391223/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 10.0 23.15
DMF 15.0 34.73
Ethanol 10.0 23.15

Preparing Stock Solutions

The following data is based on the product molecular weight 431.91 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
Formulation protocol: 1. Torres F, Farber H, Ristic A, McLaughlin V, Adams J, Zhang J, Klassen P, Shanahan W, Grundy J, Hoffmann I, Cabell C, Escribano Subías P, Sood N, Keogh A, D'Souza G, Rubin L. Efficacy and safety of ralinepag, a novel oral IP agonist, in PAH patients on mono or dual background therapy: results from a phase 2 randomised, parallel group, placebo-controlled trial. Eur Respir J. 2019 Oct 10;54(4):1901030. doi: 10.1183/13993003.01030-2019. PMID: 31391223. 2. Tran TA, Kramer B, Shin YJ, Vallar P, Boatman PD, Zou N, Sage CR, Gharbaoui T, Krishnan A, Pal B, Shakya SR, Garrido Montalban A, Adams JW, Ramirez J, Behan DP, Shifrina A, Blackburn A, Leakakos T, Shi Y, Morgan M, Sadeque A, Chen W, Unett DJ, Gaidarov I, Chen X, Chang S, Shu HH, Tung SF, Semple G. Discovery of 2-(((1r,4r)-4-(((4-Chlorophenyl)(phenyl)carbamoyl)oxy)methyl)cyclohexyl)methoxy)acetate (Ralinepag): An Orally Active Prostacyclin Receptor Agonist for the Treatment of Pulmonary Arterial Hypertension. J Med Chem. 2017 Feb 9;60(3):913-927. doi: 10.1021/acs.jmedchem.6b00871. Epub 2017 Jan 19. PMID: 28072531.
In vitro protocol: To de determined
In vivo protocol: 1. Torres F, Farber H, Ristic A, McLaughlin V, Adams J, Zhang J, Klassen P, Shanahan W, Grundy J, Hoffmann I, Cabell C, Escribano Subías P, Sood N, Keogh A, D'Souza G, Rubin L. Efficacy and safety of ralinepag, a novel oral IP agonist, in PAH patients on mono or dual background therapy: results from a phase 2 randomised, parallel group, placebo-controlled trial. Eur Respir J. 2019 Oct 10;54(4):1901030. doi: 10.1183/13993003.01030-2019. PMID: 31391223. 2. Tran TA, Kramer B, Shin YJ, Vallar P, Boatman PD, Zou N, Sage CR, Gharbaoui T, Krishnan A, Pal B, Shakya SR, Garrido Montalban A, Adams JW, Ramirez J, Behan DP, Shifrina A, Blackburn A, Leakakos T, Shi Y, Morgan M, Sadeque A, Chen W, Unett DJ, Gaidarov I, Chen X, Chang S, Shu HH, Tung SF, Semple G. Discovery of 2-(((1r,4r)-4-(((4-Chlorophenyl)(phenyl)carbamoyl)oxy)methyl)cyclohexyl)methoxy)acetate (Ralinepag): An Orally Active Prostacyclin Receptor Agonist for the Treatment of Pulmonary Arterial Hypertension. J Med Chem. 2017 Feb 9;60(3):913-927. doi: 10.1021/acs.jmedchem.6b00871. Epub 2017 Jan 19. PMID: 28072531.

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1. Tran, T.-A., Kramer, B., Shin, Y.-J., et al. Discovery of 2-(((1r,4r)-4-(((4-chlorophenyl)(phenyl)carbamoyl)oxy)methyl)cyclohexyl)methoxy)acetate (Ralingepag): An orally active prostacyclin receptor agonist for the treatment of pulmonary arterial hypertension. J. Med. Chem. 60(3), 913-927 (2017).