Evatanepag

Base Information

• Chemical Name: Evatanepag
• CAS No.: 223488-57-1
• Molecular Formula: C25H28N2O5S
• Molecular Weight: 468.574
• UNII: L266R6E31E
• DSSTox Substance ID: DTXSID20945000
• Wikidata: Q27077249
• NCI Thesaurus Code: C83707
• Pharos Ligand ID: R2PF76TYCFAV
• Metabolomics Workbench ID: 153085
• ChEMBL ID: CHEMBL563646
• Mol file: 223488-57-1.mol

Synonyms:(3-((4-tert-butylbenzyl)-(pyridine-3-sulfonylamino)methyl)phenoxy)acetic acid;CP-533,536;CP533536

Chemical Property of Evatanepag

Chemical Property:

• Boiling Point: 660.15 °C at 760 mmHg
• Flash Point: 353.046 °C
• PSA: 105.18000
• Density: 1.262 g/cm³
• LogP: 5.31440
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 468.17189317
• Heavy Atom Count: 33
• Complexity: 722

Purity/Quality:

98% min ^*data from raw suppliers

Evatanepag(CP-533536) >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC(=CC=C2)OCC(=O)O)S(=O)(=O)C3=CN=CC=C3
• Recent ClinicalTrials: ACTiF- Assessment of Closed Tibial Fractures
• Recent EU Clinical Trials: ENSAYO ALEATORIZADO, CONTROLADO CON PLACEBO PARA EVALUAR LA EFICACIA, LA SEGURIDAD Y LA TOLERABILIDAD DE CP 533,536 EN PACIENTES CON FRACTURA CERRADA DE LA DIAFASIS TIBIAL
• Uses: Evatanepag is an EP2 receptor selective prostaglandin E2 agonist that helps induce bone growth.

Technology Process of Evatanepag

There total 3 articles about Evatanepag which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

{3-[(4-tert-butyl-benzyl)-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy acetic acid tert-butyl ester (223492-52-2) → (3-(((4-tert-butyl-benzyl)-(pyridine-3-sulfonyl)-amino)-methyl)-phenoxy)-acetic acid (223488-57-1)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 ℃; for 2.16667h;

Reference yield:

(3-{[(4-tert-butyl-benzyl)-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid ethyl ester → (3-(((4-tert-butyl-benzyl)-(pyridine-3-sulfonyl)-amino)-methyl)-phenoxy)-acetic acid (223488-57-1)

Guidance literature:

(3-{[(4-tert-butyl-benzyl)-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid ethyl ester; With sodium hydroxide; water; In ethanol; at 20 ℃; for 19h;

With hydrogenchloride; In ethanol; water; at 20 ℃; for 5h;

Reference yield:

→ (3-(((4-tert-butyl-benzyl)-(pyridine-3-sulfonyl)-amino)-methyl)-phenoxy)-acetic acid (223488-57-1)

Guidance literature:

upstream raw materials:

{3-[(4-tert-butyl-benzyl)-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy acetic acid tert-butyl ester

Downstream raw materials:

CP-533,536

(3-(((4-tert-butyl-benzyl)-(pyridine-3-sulfonyl)-amino)-methyl)-phenoxy)-acetic acid sodium salt monohydrate

Refernces

• 1、 -. "Pharmaceutical compositions and methods comprising combinations of 2-alkylidene-19-nor-vitamin D derivatives and an EP2 or EP4 selective agonist". Page/Page column 44. . Retrieved 2010/02/11.
• 2、 -. "Pharmaceutical compositions and methods for administering EP2 receptor selective agonists". . . Retrieved 2008/06/13.