Isovaleramide
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MedKoo CAT#: 328094

CAS#: 541-46-8

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


Chemical Structure

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Isovaleramide
CAS# 541-46-8

Theoretical Analysis

MedKoo Cat#: 328094
Name: Isovaleramide
CAS#: 541-46-8
Chemical Formula: C5H11NO
Exact Mass: 101.08
Molecular Weight: 101.149
Elemental Analysis: C, 59.37; H, 10.96; N, 13.85; O, 15.82

Price and Availability

Size Price Availability Quantity
1g USD 250 2 Weeks
5g USD 550 2 Weeks
10g USD 850 2 Weeks
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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

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 135.0 1,334.66
Ethanol 20.0 197.73
Water 20.0 197.73

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

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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.