Setogepram | CAS# 1002101-19-0 | CTGF inhibitor

MedKoo Cat#: 572147 | Name: Setogepram

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Description:

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

Setogepram, also known as PBI-4050, is a CTGF expression inhibitor potentially for treatment of idiopathic pulmonary fibrosis.

Chemical Structure

Setogepram

CAS#1002101-19-0 (free acid)

Theoretical Analysis

MedKoo Cat#: 572147

Name: Setogepram

CAS#: 1002101-19-0 (free acid)

Chemical Formula: C13H18O2

Exact Mass: 206.1307

Molecular Weight: 206.29

Elemental Analysis: C, 75.69; H, 8.80; O, 15.51

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Related CAS #

1254472-97-3 (sodium) 1002101-19-0 (free acid)

Synonym

setogepram; 2-(3-Pentylphenyl)acetic acid; Fezagepras; 1002101-19-0; PBI-4050

IUPAC/Chemical Name

(3-pentylphenyl)acetic acid

InChi Key

PEGQOIGYZLJMIB-UHFFFAOYSA-N

InChi Code

InChI=1S/C13H18O2/c1-2-3-4-6-11-7-5-8-12(9-11)10-13(14)15/h5,7-9H,2-4,6,10H2,1H3,(H,14,15)

SMILES Code

O=C(O)CC1=CC=CC(CCCCC)=C1

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

To be determined

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

2934.99.9001

More Info

Product Data

Product Data

Instruction

View handling instruction

Biological target:

Setogepram is an agonist for GPR40 and is an inverse agonist for GPR84.

In vitro activity:

To be determined

In vivo activity:

Setogepram is a novel promising therapy for targeting lung remodelling in group II pulmonary hypertension (PH). In a rat model of heart failure with reduced ejection fraction, setogepram did not adversely affect left ventricular function but markedly reduced PH and right ventricular hypertrophy and improved right ventricular dysfunction. Setogepram reduced lung remodelling and improved respiratory compliance with decreased lung fibrosis, alveolar wall cellular proliferation and α-smooth muscle actin expression. Reference: Cardiovasc Res. 2020 Jan 1;116(1):171-182. https://pubmed.ncbi.nlm.nih.gov/30753422/

Preparing Stock Solutions

The following data is based on the product molecular weight 206.29 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:

1. Nguyen QT, Nsaibia MJ, Sirois MG, Calderone A, Tardif JC, Fen Shi Y, Ruiz M, Daneault C, Gagnon L, Grouix B, Laurin P, Dupuis J. PBI-4050 reduces pulmonary hypertension, lung fibrosis, and right ventricular dysfunction in heart failure. Cardiovasc Res. 2020 Jan 1;116(1):171-182. doi: 10.1093/cvr/cvz034. PMID: 30753422. 2. Baig S, Veeranna V, Bolton S, Edwards N, Tomlinson JW, Manolopoulos K, Moran J, Steeds RP, Geberhiwot T. Treatment with PBI-4050 in patients with Alström syndrome: study protocol for a phase 2, single-Centre, single-arm, open-label trial. BMC Endocr Disord. 2018 Nov 26;18(1):88. doi: 10.1186/s12902-018-0315-6. PMID: 30477455; PMCID: PMC6258144.

In vitro protocol:

To be determined

In vivo protocol: