Amorolfine HCl | Loceryl | Locetar | Odenil | CAS#78613-38-4 | 14-alpha demethylase inhibitor

MedKoo Cat#: 540016 | Name: Amorolfine HCl

Description:

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

Amorolfine is a 14-alpha demethylase inhibitor that inhibits ergosterol synthesis and fungal cell wall formation. In also increases release for prostaglandin D2 metabolites and inhibits production of thymic stromal lymphopoietin in dermatitis models.

Chemical Structure

Amorolfine HCl

CAS#78613-38-4 (HCl)

Theoretical Analysis

MedKoo Cat#: 540016

Name: Amorolfine HCl

CAS#: 78613-38-4 (HCl)

Chemical Formula: C21H36ClNO

Exact Mass: 0.0000

Molecular Weight: 353.98

Elemental Analysis: C, 71.26; H, 10.25; Cl, 10.01; N, 3.96; O, 4.52

Price and Availability

Size	Price	Availability
50mg	USD 120.00	Ready to ship
100mg	USD 215.00	Ready to ship
200mg	USD 350.00	Ready to ship
500mg	USD 650.00	Ready to ship
1g	USD 950.00	2 weeks

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Related CAS #

67467-83-8 78613-35-1 (free base) 78613-38-4 (HCl)

Synonym

Loceryl; Locetar; Odenil; Ro 14-4767-002; Ro144767002; Ro 14 4767 002; Amorolfine; Amorolfine HCl

IUPAC/Chemical Name

(2R,6S)-2,6-dimethyl-4-(2-methyl-3-(4-(tert-pentyl)phenyl)propyl)morpholine hydrochloride

InChi Key

XZKWIPVTHGWDCF-KUZYQSSXSA-N

InChi Code

InChI=1S/C21H35NO.ClH/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22;/h8-11,16-18H,7,12-15H2,1-6H3;1H/t16?,17-,18+;

SMILES Code

CC(C1=CC=C(CC(C)CN2C[C@@H](C)O[C@@H](C)C2)C=C1)(C)CC.[H]Cl

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 ethanol, DMSO, and water

Shelf Life

>2 years if stored properly

Drug Formulation

This drug may be formulated in ethanol, DMSO, and water

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

Certificate of Analysis

View CoA: current batch, Lot#T23C07I28

Safety Data Sheet (SDS)

View Safety Data Sheet (SDS)

Instruction

View handling instruction

Biological target:

Amorolfine HCl is an antifungal reagent.

In vitro activity:

Amorolfine was more effective than fluconazole and bifonazole against microconidia and chlamydospores and was slightly more potent against chlamydospores and blastospores than terbinafine after 4 days of incubation and at concentrations of ≥10 μg ml(-1). Reference: Mycoses. 2015 Oct;58(10):610-9. https://pubmed.ncbi.nlm.nih.gov/26334024/

In vivo activity:

Voriconazole and amorolfine exhibit synergistic activity against infections caused by Fusarium spp., indicating that they may represent an effective approach to antifungal disease treatment. In isolation, amorolfine and voriconazole exhibited MIC values ranging from 4 to 16 μg/mL and 2 to 8 μg/mL, respectively. However, these MIC values fell to 1-2 μg/mL and 0.5-2 μg/mL, respectively, when amorolfine and voriconazole were administered in combination. Reference: Mycopathologia. 2021 Aug;186(4):535-542. https://pubmed.ncbi.nlm.nih.gov/34089428/

	Solvent	mg/mL	mM
Solubility
	Ethanol	71.0	200.58
	DMSO	9.0	25.43
	Water	28.0	79.10

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 353.98 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. Seidl HP, Jäckel A, Müller J, Schaller M, Borelli C, Polak A. Sporicidal effect of amorolfine and other antimycotics used in the therapy of fungal nail infections. Mycoses. 2015 Oct;58(10):610-9. doi: 10.1111/myc.12369. Epub 2015 Sep 3. PMID: 26334024. 2. Schaller M, Borelli C, Berger U, Walker B, Schmidt S, Weindl G, Jäckel A. Susceptibility testing of amorolfine, bifonazole and ciclopiroxolamine against Trichophyton rubrum in an in vitro model of dermatophyte nail infection. Med Mycol. 2009 Nov;47(7):753-8. doi: 10.3109/13693780802577892. PMID: 19888808. 3. Liu Q, Jiang S, Zheng K, Song J, Liang P. Interaction Between Amorolfine and Voriconazole Against Fusarium species. Mycopathologia. 2021 Aug;186(4):535-542. doi: 10.1007/s11046-021-00568-8. Epub 2021 Jun 5. PMID: 34089428. 4. Park KY, Suh JH, Kim BJ, Kim MN, Hong CK. Randomized Clinical Trial to Evaluate the Efficacy and Safety of Combination Therapy with Short-Pulsed 1,064-nm Neodymium-Doped Yttrium Aluminium Garnet Laser and Amorolfine Nail Lacquer for Onychomycosis. Ann Dermatol. 2017 Dec;29(6):699-705. doi: 10.5021/ad.2017.29.6.699. Epub 2017 Oct 30. PMID: 29200757; PMCID: PMC5705350.

In vitro protocol:

In vivo protocol:

1. Liu Q, Jiang S, Zheng K, Song J, Liang P. Interaction Between Amorolfine and Voriconazole Against Fusarium species. Mycopathologia. 2021 Aug;186(4):535-542. doi: 10.1007/s11046-021-00568-8. Epub 2021 Jun 5. PMID: 34089428. 2. Park KY, Suh JH, Kim BJ, Kim MN, Hong CK. Randomized Clinical Trial to Evaluate the Efficacy and Safety of Combination Therapy with Short-Pulsed 1,064-nm Neodymium-Doped Yttrium Aluminium Garnet Laser and Amorolfine Nail Lacquer for Onychomycosis. Ann Dermatol. 2017 Dec;29(6):699-705. doi: 10.5021/ad.2017.29.6.699. Epub 2017 Oct 30. PMID: 29200757; PMCID: PMC5705350.

1: Hossin B, Rizi K, Murdan S. Application of Hansen Solubility Parameters to predict drug-nail interactions, which can assist the design of nail medicines. Eur J Pharm Biopharm. 2016 May;102:32-40. doi: 10.1016/j.ejpb.2016.02.009. Epub 2016 Feb 23. PubMed PMID: 26924329. 2: Kerai LV, Hilton S, Murdan S. UV-curable gel formulations: Potential drug carriers for the topical treatment of nail diseases. Int J Pharm. 2015 Aug 15;492(1-2):177-90. doi: 10.1016/j.ijpharm.2015.07.020. Epub 2015 Jul 14. PubMed PMID: 26187167. 3: Espinel-Ingroff A, Shadomy S, Gebhart RJ. In vitro studies with R 51,211 (itraconazole). Antimicrob Agents Chemother. 1984 Jul;26(1):5-9. PubMed PMID: 6089654; PubMed Central PMCID: PMC179904.