MedKoo Cat#: 414307 | Name: Neltenexine HCl

Description:

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

Neltenexine HCl is the salt form of Neltenexine free base, an elastase inhibitor that may be useful for preventing pulmonary emphysema.

Chemical Structure

Neltenexine HCl
Neltenexine HCl
CAS#99461-80-0 (HCl)

Theoretical Analysis

MedKoo Cat#: 414307

Name: Neltenexine HCl

CAS#: 99461-80-0 (HCl)

Chemical Formula: C18H21Br2ClN2O2S

Exact Mass: 521.9379

Molecular Weight: 524.69

Elemental Analysis: C, 41.20; H, 4.03; Br, 30.46; Cl, 6.76; N, 5.34; O, 6.10; S, 6.11

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Synonym
Neltenexine HCl; Neltenexine hydrochloride
IUPAC/Chemical Name
N-(2,4-dibromo-6-((((1r,4r)-4-hydroxycyclohexyl)amino)methyl)phenyl)thiophene-2-carboxamide hydrochloride
InChi Key
ZVPWQPVEYLBIFG-SKKCDYJJSA-N
InChi Code
InChI=1S/C18H20Br2N2O2S.ClH/c19-12-8-11(10-21-13-3-5-14(23)6-4-13)17(15(20)9-12)22-18(24)16-2-1-7-25-16;/h1-2,7-9,13-14,21,23H,3-6,10H2,(H,22,24);1H/t13-,14-;
SMILES Code
O[C@@H]1CC[C@@H](NCc2c(NC(c3sccc3)=O)c(Br)cc(Br)c2)CC1.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
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

Preparing Stock Solutions

The following data is based on the product molecular weight 524.69 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.

Recalculate based on batch purity %
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
1: Niisato N, Hasegawa I, Tokuda S, Taruno A, Nakajima K, Miyazaki H, Iwasaki Y, Marunaka Y. Action of neltenexine on anion secretion in human airway epithelia. Biochem Biophys Res Commun. 2007 May 18;356(4):1050-5. Epub 2007 Mar 26. PubMed PMID: 17400191. 2: Cattaneo C. Neltenexine tablets in smoking and non-smoking patients with COPD. A double-blind, randomised, controlled study versus placebo. Minerva Med. 2001 Aug;92(4):277-84. PubMed PMID: 11535971. 3: Fadda G. Oral neltenexine in patients with obstructive airways diseases: an open, randomised, controlled comparison versus sobrerol. Minerva Med. 2001 Aug;92(4):269-75. PubMed PMID: 11535970. 4: Braga PC, Piatti G, Limoli A, Dal Sasso M, Maci S. Neltenexine: morphological investigation of protection against elastase-induced emphysema in rats. Drugs Exp Clin Res. 1995;21(2):51-7. PubMed PMID: 7555609. 5: Chang CC, Cheng AC, Chang AB. Over-the-counter (OTC) medications to reduce cough as an adjunct to antibiotics for acute pneumonia in children and adults. Cochrane Database Syst Rev. 2014 Mar 10;(3):CD006088. doi: 10.1002/14651858.CD006088.pub4. Review. PubMed PMID: 24615334. 6: Molassiotis A, Bryan G, Caress A, Bailey C, Smith J. Pharmacological and non-pharmacological interventions for cough in adults with respiratory and non-respiratory diseases: A systematic review of the literature. Respir Med. 2010 Jul;104(7):934-44. doi: 10.1016/j.rmed.2010.02.010. Epub 2010 Apr 10. Review. PubMed PMID: 20385478. 7: Chang CC, Cheng AC, Chang AB. Over-the-counter (OTC) medications to reduce cough as an adjunct to antibiotics for acute pneumonia in children and adults. Cochrane Database Syst Rev. 2012 Feb 15;(2):CD006088. doi: 10.1002/14651858.CD006088.pub3. Review. Update in: Cochrane Database Syst Rev. 2014;(3):CD006088. PubMed PMID: 22336815. 8: Chang CC, Cheng AC, Chang AB. Over-the-counter (OTC) medications to reduce cough as an adjunct to antibiotics for acute pneumonia in children and adults. Cochrane Database Syst Rev. 2007 Oct 17;(4):CD006088. Review. Update in: Cochrane Database Syst Rev. 2012;2:CD006088. PubMed PMID: 17943884.