WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: 125442
CAS#: 1187857-75-5 (sodium)
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.
Hodoodo Cat#: 125442
Name: Ralinepag sodium monohydrate
CAS#: 1187857-75-5 (sodium)
Chemical Formula: C23H27ClNNaO6
Exact Mass: 471.14
Molecular Weight: 471.910
Elemental Analysis: C, 58.54; H, 5.77; Cl, 7.51; N, 2.97; Na, 4.87; O, 20.34
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Related CAS #: 1187856-49-0 (free base) 1187857-75-5 (sodium)
Synonym: Ralinepag sodium monohydrate; UNII-AM550C29LE; AM550C29LE; 1187857-75-5
IUPAC/Chemical Name: sodium 2-(((1r,4r)-4-((((4-chlorophenyl)(phenyl)carbamoyl)oxy)methyl)cyclohexyl)methoxy)acetate hydrate
InChi Key: QDYNDSKQYZTUPW-PMXFUEHMSA-M
InChi Code: InChI=1S/C23H26ClNO5.Na.H2O/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);;1H2/q;+1;/p-1/t17-,18-;;
SMILES Code: O.[Na+].[O-]C(=O)COC[C@H]1CC[C@H](COC(=O)N(C2=CC=CC=C2)C3=CC=C(Cl)C=C3)CC1
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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 471.91 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.
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: | |
In vitro protocol: | |
In vivo protocol: |
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).