Roflumilast | Daxas | Daliresp | CAS#162401-32-3 | PDE-4 inhibitor

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

MedKoo CAT#: 300320

CAS#: 162401-32-3

Description: Roflumilast (also known as Daxas and Daliresp) acts as a selective, long-acting inhibitor of PDE-4. It has anti-inflammatory effects and is under development as an orally administered drug for the treatment of inflammatory conditions of the lungs. In June 2010, Daxas was approved in the EU for severe COPD associated with chronic bronchitis. In March 2011, Daliresp gained FDA approval in the US for reducing COPD exacerbations.

Chemical Structure

Roflumilast

CAS# 162401-32-3

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 300320
Name: Roflumilast
CAS#: 162401-32-3
Chemical Formula: C17H14Cl2F2N2O3
Exact Mass: 402.04
Molecular Weight: 403.210
Elemental Analysis: C, 50.64; H, 3.50; Cl, 17.58; F, 9.42; N, 6.95; O, 11.90

Price and Availability

Size	Price	Availability	Quantity
250mg	USD 250
500mg	USD 450
1g	USD 750
2g	USD 1350
5g	USD 2450
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: BY217; BY-217; BY 217; B 9302-107; B9302-107; B-9302-107; BYK 20869; BYK-20869; BYK20869; Daxas; Daliresp

IUPAC/Chemical Name: 3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide

InChi Key: MNDBXUUTURYVHR-UHFFFAOYSA-N

InChi Code: InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)

SMILES Code: O=C(NC1=C(Cl)C=NC=C1Cl)C2=CC=C(OC(F)F)C(OCC3CC3)=C2

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: Soluble in DMSO and ethanol

Shelf Life: >2 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:	Roflumilast inhibits LTB4 synthesis in human neutrophil with IC50 of 2 nM. Roflumilast inhibits fMLP-stimulated ROS formation as luminol-enhanced CL in human neutrophils or eosinophils with IC35 of 4 nM, and 7 nM, repectively. Roflumilast inhibits LPS-stimulated TNF-α synthesis in monocytes with IC40 of 21 nM. Roflumilast inhibits TNF-α synthesis in monocyte-derived dendritic cells with IC20 of 5 nM. Rolfumilast inhibits anti-CD3 and anti-CD28 antibody-stimulated proliferation of CD4+ T cells with IC30 of 7 nM. Rolfumilast inhibits anti-CD3 and anti-CD28 antibody-stimulated synthesis of IL-2, IL-4, IL-5, and IFN-v in CD4+ T cells with IC20 of 1 nM, IC30 of 7 nM, IC25 of 13 nM, and IC35 of 8 nM, respectively.
In vitro activity:	In the PC3 cell line, roflumilast reversed cisplatin (CIS)-induced abnormalities in sperm characteristics, normalized serum testosterone level, ameliorated CIS-induced alterations in testicular and epidydimal weights, and restored normal testicular structure. Roflumilast increased intracellular cAMP levels, PKA, and HO-1 activities; Nrf2, NQO-1 and HO-1 gene expression; improved testicular oxidative stress parameters and inflammatory mediators; and reduced the proapoptotic proteins, caspase-3, Bax and increased Bcl-2. Reference: Food Chem Toxicol. 2021 May;151:112133. https://pubmed.ncbi.nlm.nih.gov/33757793/
In vivo activity:	This study revealed that roflumilast exerted neuroprotective effects in rotenone-induced neurotoxicity in a model of Parkinson's disease in rats. Rats treated with roflumilast showed an improvement in motor activity and coordination and preservation of dopaminergic neurons in the striatum. Roflumilast increased cAMP level and activated the PI3K/AKT axis via stimulation of CREB/BDNF/TrkB and SIRT1/PTP1B/IGF1 signaling cascades. Roflumilast caused an upsurge in mTOR and Nrf2, halted GSK-3β and NF-ĸB, and suppressed FoxO1 and caspase-3. Reference: Inflammopharmacology. 2023 Aug 4. https://pubmed.ncbi.nlm.nih.gov/37541971/

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMSO	81.0	200.89
	Ethanol	15.0	37.20

Preparing Stock Solutions

The following data is based on the product molecular weight 403.21 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. Abdel-Wahab BA, Walbi IA, Albarqi HA, Ali FEM, Hassanein EHM. Roflumilast protects from cisplatin-induced testicular toxicity in male rats and enhances its cytotoxicity in prostate cancer cell line. Role of NF-κB-p65, cAMP/PKA and Nrf2/HO-1, NQO1 signaling. Food Chem Toxicol. 2021 May;151:112133. doi: 10.1016/j.fct.2021.112133. Epub 2021 Mar 20. PMID: 33757793. 2. Gong S, Chen Y, Meng F, Zhang Y, Li C, Zhang G, Huan W, Wu F. Roflumilast enhances cisplatin-sensitivity and reverses cisplatin-resistance of ovarian cancer cells via cAMP/PKA/CREB-FtMt signalling axis. Cell Prolif. 2018 Oct;51(5):e12474. doi: 10.1111/cpr.12474. Epub 2018 Aug 2. PMID: 30069985; PMCID: PMC6528923. 3. Farid HA, Sayed RH, El-Shamarka ME, Abdel-Salam OME, El Sayed NS. PI3K/AKT signaling activation by roflumilast ameliorates rotenone-induced Parkinson's disease in rats. Inflammopharmacology. 2023 Aug 4. doi: 10.1007/s10787-023-01305-x. Epub ahead of print. PMID: 37541971. 4. Patel P, Patel S, Chudasama P, Soni S, Raval M. Roflumilast ameliorates diabetic nephropathy in rats through down-regulation of JAK/STAT signaling pathway. Naunyn Schmiedebergs Arch Pharmacol. 2023 Jun 15. doi: 10.1007/s00210-023-02535-0. Epub ahead of print. PMID: 37318524.
In vitro protocol:	1. Abdel-Wahab BA, Walbi IA, Albarqi HA, Ali FEM, Hassanein EHM. Roflumilast protects from cisplatin-induced testicular toxicity in male rats and enhances its cytotoxicity in prostate cancer cell line. Role of NF-κB-p65, cAMP/PKA and Nrf2/HO-1, NQO1 signaling. Food Chem Toxicol. 2021 May;151:112133. doi: 10.1016/j.fct.2021.112133. Epub 2021 Mar 20. PMID: 33757793. 2. Gong S, Chen Y, Meng F, Zhang Y, Li C, Zhang G, Huan W, Wu F. Roflumilast enhances cisplatin-sensitivity and reverses cisplatin-resistance of ovarian cancer cells via cAMP/PKA/CREB-FtMt signalling axis. Cell Prolif. 2018 Oct;51(5):e12474. doi: 10.1111/cpr.12474. Epub 2018 Aug 2. PMID: 30069985; PMCID: PMC6528923.
In vivo protocol:	1. Farid HA, Sayed RH, El-Shamarka ME, Abdel-Salam OME, El Sayed NS. PI3K/AKT signaling activation by roflumilast ameliorates rotenone-induced Parkinson's disease in rats. Inflammopharmacology. 2023 Aug 4. doi: 10.1007/s10787-023-01305-x. Epub ahead of print. PMID: 37541971. 2. Patel P, Patel S, Chudasama P, Soni S, Raval M. Roflumilast ameliorates diabetic nephropathy in rats through down-regulation of JAK/STAT signaling pathway. Naunyn Schmiedebergs Arch Pharmacol. 2023 Jun 15. doi: 10.1007/s00210-023-02535-0. Epub ahead of print. PMID: 37318524.

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1: Oba Y, Lone NA. Efficacy and safety of roflumilast in patients with chronic obstructive pulmonary disease: a systematic review and meta-analysis. Ther Adv Respir Dis. 2013 Feb;7(1):13-24. doi: 10.1177/1753465812466167. Epub 2012 Nov 29. Review. PubMed PMID: 23197074.

2: Taegtmeyer AB, Leuppi JD, Kullak-Ublick GA. Roflumilast--a phosphodiesterase-4 inhibitor licensed for add-on therapy in severe COPD. Swiss Med Wkly. 2012 Jul 25;142:w13628. doi: 10.4414/smw.2012.13628. Review. PubMed PMID: 22833385.

3: Reid DJ, Pham NT. Roflumilast: a novel treatment for chronic obstructive pulmonary disease. Ann Pharmacother. 2012 Apr;46(4):521-9. doi: 10.1345/aph.1Q646. Epub 2012 Mar 20. Review. PubMed PMID: 22433610.

4: Pinner NA, Hamilton LA, Hughes A. Roflumilast: a phosphodiesterase-4 inhibitor for the treatment of severe chronic obstructive pulmonary disease. Clin Ther. 2012 Jan;34(1):56-66. doi: 10.1016/j.clinthera.2011.12.008. Review. PubMed PMID: 22284994.

5: Lahu G, Nassr N, HÃ¼nnemeyer A. Pharmacokinetic evaluation of roflumilast. Expert Opin Drug Metab Toxicol. 2011 Dec;7(12):1577-91. doi: 10.1517/17425255.2011.632409. Epub 2011 Nov 8. Review. PubMed PMID: 22059647.

6: Izquierdo Alonso JL. [Phosphodiesterase-4 inhibitors: roflumilast]. Rev Clin Esp. 2011 Mar;211 Suppl 2:22-30. doi: 10.1016/S0014-2565(11)70008-X. Review. Spanish. PubMed PMID: 21596170.

7: Antoniu SA. New therapeutic options in the management of COPD - focus on roflumilast. Int J Chron Obstruct Pulmon Dis. 2011;6:147-55. doi: 10.2147/COPD.S7336. Epub 2011 Feb 17. Review. PubMed PMID: 21468165; PubMed Central PMCID: PMC3064419.

8: Roflumilast for severe COPD? Drug Ther Bull. 2011 Apr;49(4):45-8; quiz iii-iv. doi: 10.1136/dtb.2011.02.0025. Review. PubMed PMID: 21467576.

9: Izquierdo Alonso JL. [Clinical profile of roflumilast]. Arch Bronconeumol. 2010 Dec;46 Suppl 10:25-32. doi: 10.1016/S0300-2896(10)70053-3. Review. Spanish. PubMed PMID: 21316553.

10: Cortijo Gimeno J, Morcillo SÃ¡nchez E. [Pharmacological profile of roflumilast]. Arch Bronconeumol. 2010 Dec;46 Suppl 10:19-24. doi: 10.1016/S0300-2896(10)70052-1. Review. Spanish. PubMed PMID: 21316552.

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