MedKoo Cat#: 328094 | Name: Isovaleramide
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Description:

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

Isovaleramide, also known as NPS-1776, is a drug potentially for the treatment of migraine.

Chemical Structure

Isovaleramide
Isovaleramide
CAS#541-46-8

Theoretical Analysis

MedKoo Cat#: 328094

Name: Isovaleramide

CAS#: 541-46-8

Chemical Formula: C5H11NO

Exact Mass: 101.0841

Molecular Weight: 101.15

Elemental Analysis: C, 59.37; H, 10.96; N, 13.85; O, 15.82

Price and Availability

Size Price Availability Quantity
1g USD 250.00 2 Weeks
5g USD 550.00 2 Weeks
10g USD 850.00 2 Weeks
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Related CAS #
No Data
Synonym
NPS-1776; NPS 1776; NPS1776; Isovaleramide.
IUPAC/Chemical Name
3-Methylbutanamide
InChi Key
SANOUVWGPVYVAV-UHFFFAOYSA-N
InChi Code
InChI=1S/C5H11NO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H2,6,7)
SMILES Code
CC(C)CC(N)=O
Appearance
Solid powder
Purity
>95% (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
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
Biological target:
Isovaleramide is an active principle on central nervous system from Valeriana pavonii, as an anticonvulsant.
In vitro activity:
TBD
In vivo activity:
TBD
Solvent mg/mL mM
Solubility
DMSO 135.0 1,334.66
Ethanol 20.0 197.73
Water 20.0 197.73
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 101.15 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
Formulation protocol:
TBD
In vitro protocol:
TBD
In vivo protocol:
TBD
1: Giraldo SE, Rincón J, Puebla P, Marder M, Wasowski C, Vergel N, Guerrero MF. [Isovaleramide, an anticonvulsant molecule isolated from Valeriana pavonii]. Biomedica. 2010 Apr-Jun;30(2):245-50. Spanish. PubMed PMID: 20890571. 2: Bialer M. New antiepileptic drugs that are second generation to existing antiepileptic drugs. Expert Opin Investig Drugs. 2006 Jun;15(6):637-47. Review. PubMed PMID: 16732716. 3: Rogawski MA. Diverse mechanisms of antiepileptic drugs in the development pipeline. Epilepsy Res. 2006 Jun;69(3):273-94. Review. PubMed PMID: 16621450; PubMed Central PMCID: PMC1562526. 4: Eadie MJ. Could valerian have been the first anticonvulsant? Epilepsia. 2004 Nov;45(11):1338-43. PubMed PMID: 15509234. 5: Isoherranen N, Yagen B, Bialer M. New CNS-active drugs which are second-generation valproic acid: can they lead to the development of a magic bullet? Curr Opin Neurol. 2003 Apr;16(2):203-11. Review. PubMed PMID: 12644750. 6: Kaylor JJ, Risley JM. Synthesis of N4-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-L-asparagine analogues. n-Butyramide, 3-chloropropionamide, 3-aminopropionamide, and isovaleramide analogues. Carbohydr Res. 2001 Apr 23;331(4):439-44. PubMed PMID: 11398986. 7: Kozhemiakin LA, Zelenin KN, Bonitenko IuIu, Ivanova LI, Ershov AIu, Zemlianoĭ AV, Koroliuk MA. [Alcohol dehydrogenase inhibitors and their effect on major enzymatic systems involved in oxidation of aliphatic alcohols]. Vopr Med Khim. 1990 May-Jun;36(3):67-9. Russian. PubMed PMID: 2382435. 8: Chadha VK, Leidal KG, Plapp BV. Inhibition by carboxamides and sulfoxides of liver alcohol dehydrogenase and ethanol metabolism. J Med Chem. 1983 Jun;26(6):916-22. PubMed PMID: 6343601. 9: Galey WR, Owen JD, Solomon AK. Temperature dependence of nonelectrolyte permeation across red cell membranes. J Gen Physiol. 1973 Jun;61(6):727-46. PubMed PMID: 4708405; PubMed Central PMCID: PMC2203490.