Nerandomilast | CAS#1423719-30-5 | PDE4 inhibitor

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

MedKoo CAT#: 130443

CAS#: 1423719-30-5

Description: Nerandomilast, also known as BI-1015550, is a potent PDE4 inhibitor that displays anti-inflammatory activity. BI 1015550 shows a preferential enzymatic inhibition of PDE4B. In vitro, BI 1015550 inhibits lipopolysaccharide (LPS)-induced tumor necrosis factor-α (TNF-α) and phytohemagglutinin-induced interleukin-2 synthesis in human peripheral blood mononuclear cells, as well as LPS-induced TNF-α synthesis in human and rat whole blood. In vivo, oral BI 1015550 shows potent anti-inflammatory activity in mice by inhibiting LPS-induced TNF-α synthesis ex vivo and in Suncus murinus by inhibiting neutrophil influx into bronchoalveolar lavage fluid stimulated by nebulized LPS.

Chemical Structure

Nerandomilast

CAS# 1423719-30-5

Instruction

Theoretical Analysis

MedKoo Cat#: 130443
Name: Nerandomilast
CAS#: 1423719-30-5
Chemical Formula: C20H25ClN6O2S
Exact Mass: 448.14
Molecular Weight: 448.970
Elemental Analysis: C, 53.50; H, 5.61; Cl, 7.90; N, 18.72; O, 7.13; S, 7.14

Price and Availability

Size	Price	Availability
10mg	USD 350	2 Weeks
25mg	USD 550	2 Weeks
50mg	USD 950	2 Weeks
100mg	USD 1650	2 Weeks
1g	USD 6950	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: BI-1015550; BI1015550; BI 1015550; I5DGT51IB8, nerandomilast

IUPAC/Chemical Name: (R)-2-(4-(5-chloropyrimidin-2-yl)piperidin-1-yl)-4-((1-(hydroxymethyl)cyclobutyl)amino)-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide

InChi Key: UHYCLWAANUGUMN-SSEXGKCCSA-N

InChi Code: InChI=1S/C20H25ClN6O2S/c21-14-10-22-17(23-11-14)13-2-7-27(8-3-13)19-24-15-4-9-30(29)16(15)18(25-19)26-20(12-28)5-1-6-20/h10-11,13,28H,1-9,12H2,(H,24,25,26)/t30-/m1/s1

SMILES Code: OCC1(NC2=C3C(CC[S@]3=O)=NC(N4CCC(C5=NC=C(Cl)C=N5)CC4)=N2)CCC1

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: The anti-inflammatory and immunomodulatory abilities of oral selective phosphodiesterase 4 (PDE4) inhibitors enabled the approval of roflumilast and apremilast for use in chronic obstructive pulmonary disease and psoriasis/psoriatic arthritis, respectively.

Instruction:

View handling instruction

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 448.97 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:

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1: Sofia C, Comes A, Sgalla G, Richeldi L. An update on emerging drugs for the treatment of idiopathic pulmonary fibrosis: a look towards 2023 and beyond. Expert Opin Emerg Drugs. 2023 Dec;28(4):283-296. doi: 10.1080/14728214.2023.2281416. Epub 2023 Dec 26. PMID: 37953604.

2: Maher TM, Assassi S, Azuma A, Cottin V, Hoffmann-Vold AM, Kreuter M, Oldham JM, Richeldi L, Valenzuela C, Wijsenbeek MS, Coeck C, Schlecker C, Voss F, Wachtlin D, Martinez FJ. Design of a phase III, double-blind, randomised, placebo-controlled trial of BI 1015550 in patients with progressive pulmonary fibrosis (FIBRONEER-ILD). BMJ Open Respir Res. 2023 Sep;10(1):e001580. doi: 10.1136/bmjresp-2022-001580. PMID: 37709661; PMCID: PMC10503394.

3: Richeldi L, Azuma A, Cottin V, Kreuter M, Maher TM, Martinez FJ, Oldham JM, Valenzuela C, Gordat M, Liu Y, Stowasser S, Zoz DF, Wijsenbeek MS. Design of a phase III, double-blind, randomised, placebo-controlled trial of BI 1015550 in patients with idiopathic pulmonary fibrosis (FIBRONEER-IPF). BMJ Open Respir Res. 2023 Aug;10(1):e001563. doi: 10.1136/bmjresp-2022-001563. PMID: 37597969; PMCID: PMC10441083.

4: Herrmann FE, Hesslinger C, Wollin L, Nickolaus P. Corrigendum: BI 1015550 is a PDE4B inhibitor and a clinical drug candidate for the oral treatment of idiopathic pulmonary fibrosis. Front Pharmacol. 2023 May 30;14:1219760. doi: 10.3389/fphar.2023.1219760. Erratum for: Front Pharmacol. 2022 Apr 20;13:838449. PMID: 37324497; PMCID: PMC10263364.

5: Sgalla G, Simonetti J, Cortese S, Richeldi L. BI 1015550: an investigational phosphodiesterase 4B (PDE4B) inhibitor for lung function decline in idiopathic pulmonary fibrosis (IPF). Expert Opin Investig Drugs. 2023 Jan;32(1):17-23. doi: 10.1080/13543784.2023.2173061. Epub 2023 Feb 3. PMID: 36693635.

6: Richeldi L, Azuma A, Cottin V, Hesslinger C, Stowasser S, Valenzuela C, Wijsenbeek MS, Zoz DF, Voss F, Maher TM. Plain language summary: Clinical study of BI 1015550 as a potential treatment for idiopathic pulmonary fibrosis. J Comp Eff Res. 2022 Dec 20;12(1):e220142. doi: 10.2217/cer-2022-0142. Epub ahead of print. PMID: 36537726; PMCID: PMC10288937.

7: Maher TM, Schlecker C, Luedtke D, Bossert S, Zoz DF, Schultz A. Phase I studies of BI 1015550, a preferential phosphodiesterase 4B inhibitor, in healthy males and patients with idiopathic pulmonary fibrosis. ERJ Open Res. 2022 Oct 24;8(4):00240-2022. doi: 10.1183/23120541.00240-2022. PMID: 36299369; PMCID: PMC9589333.

8: Richeldi L, Azuma A, Cottin V, Hesslinger C, Stowasser S, Valenzuela C, Wijsenbeek MS, Zoz DF, Voss F, Maher TM; 1305-0013 Trial Investigators. Trial of a Preferential Phosphodiesterase 4B Inhibitor for Idiopathic Pulmonary Fibrosis. N Engl J Med. 2022 Jun 9;386(23):2178-2187. doi: 10.1056/NEJMoa2201737. Epub 2022 May 15. PMID: 35569036.

9: Herrmann FE, Hesslinger C, Wollin L, Nickolaus P. BI 1015550 is a PDE4B Inhibitor and a Clinical Drug Candidate for the Oral Treatment of Idiopathic Pulmonary Fibrosis. Front Pharmacol. 2022 Apr 20;13:838449. doi: 10.3389/fphar.2022.838449. Erratum in: Front Pharmacol. 2023 May 30;14:1219760. PMID: 35517783; PMCID: PMC9065678.

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