EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

isobutyramide
propanamide, 2-methyl-

Supplier Sponsors

Name:2-methylpropanamide
CAS Number: 563-83-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:209-265-9
FDA UNII: 82UOE7B38Z
Nikkaji Web:J2.672G
Beilstein Number:1737615
MDL:MFCD00008019
XlogP3-AA:0.20 (est)
Molecular Weight:87.12193000
Formula:C4 H9 N O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:white to pale yellow powder (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.01300 @ 25.00 °C.
Melting Point: 128.00 °C. @ 760.00 mm Hg
Boiling Point: 218.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.107000 mmHg @ 25.00 °C. (est)
Flash Point: 190.00 °F. TCC ( 87.70 °C. ) (est)
logP (o/w): 0.003 (est)
Soluble in:
 water, 2.081e+005 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Isobutyramide 98%
Matrix Scientific
For experimental / research use only.
isoButyramide, 98%
sds
Sigma-Aldrich: Aldrich
For experimental / research use only.
isoButyramide 99%
sds
TCI AMERICA
For experimental / research use only.
isoButyramide >98.0%(N)
sds
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intravenous-mammal (species unspecified) LD50 3000 mg/kg
United States Patent Document. Vol. #5439939

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for isobutyramide usage levels up to:
 not for fragrance use.
 
Recommendation for isobutyramide flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):563-83-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :68424
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-methylpropanamide
Chemidplus:0000563837
RTECS:TX1475000 for cas# 563-83-7
 
References:
 2-methylpropanamide
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):68424
Pubchem (sid):135025531
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2924.10.1050
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
isobutylamide
2-methyl propanamide
 methyl propionic acid amide
2-methylpropanamide
2-methylpropionamide
 propanamide, 2-methyl-
isopropylformamide
 

Articles:

PubMed:Templated assembly of albumin-based nanoparticles for simultaneous gene silencing and magnetic resonance imaging.
PubMed:Liquid-liquid extraction of uranyl by an amide ligand: interfacial features studied by MD and PMF simulations.
PubMed:Cytotoxic (A549) and antimicrobial effects of Methylobacterium sp. isolate (ERI-135) from Nilgiris forest soil, India.
PubMed:Protein capsules assembled via isobutyramide grafts: sequential growth, biofunctionalization, and cellular uptake.
PubMed:Hyperbranched polymers with thermoresponsive property highly sensitive to ions.
PubMed:Bromoisobutyramide as an intermolecular surface binder for the preparation of free-standing biopolymer assemblies.
PubMed:Cloning and characterization of a novel amidase from Paracoccus sp. M-1, showing aryl acylamidase and acyl transferase activities.
PubMed:Thermodynamics of hyperbranched poly(ethylenimine) with isobutyramide residues during phase transition: an insight into the molecular mechanism.
PubMed:Thermosensitive molecular assemblies from poly(amidoamine) dendron-based lipids.
PubMed:A new acylamidase from Rhodococcus erythropolis TA37 can hydrolyze N-substituted amides.
PubMed:Exploring the neuroleptic substituent in octoclothepin: potential ligands for positron emission tomography with subnanomolar affinity for α(1)-adrenoceptors.
PubMed:Establishment of steady-state metabolism of ethanol in perfused rat liver: the quantitative analysis using kinetic mechanism-based rate equations of alcohol dehydrogenase.
PubMed:The effects of stressful stimuli and hypothalamic-pituitary-adrenal axis activation are reversed by the melanin-concentrating hormone 1 receptor antagonist SNAP 94847 in rodents.
PubMed:R-stereoselective amidase from Rhodococcus erythropolis No. 7 acting on 4-chloro-3-hydroxybutyramide.
PubMed:Me-talnetant and osanetant interact within overlapping but not identical binding pockets in the human tachykinin neurokinin 3 receptor transmembrane domains.
PubMed:Synthesis and SAR investigations for novel melanin-concentrating hormone 1 receptor (MCH1) antagonists Part 1. The discovery of arylacetamides as viable replacements for the dihydropyrimidinone moiety of an HTS hit.
PubMed:Structural evidence for a ligand coordination switch in liver alcohol dehydrogenase.
PubMed:A novel thermostable nitrilase superfamily amidase from Geobacillus pallidus showing acyl transfer activity.
PubMed:Cloning and nucleotide sequence of carbaryl hydrolase gene (cahA) from Arthrobacter sp. RC100.
PubMed:Metabolism, pharmacokinetics, tissue distribution, and excretion of [14C]CP-424391 in rats.
PubMed:Discovery and SAR of 2-aminothiazole inhibitors of cyclin-dependent kinase 5/p25 as a potential treatment for Alzheimer's disease.
PubMed:Rendering poly(amidoamine) or poly(propylenimine) dendrimers temperature sensitive.
PubMed:Purification and properties of an enantioselective and thermoactive amidase from the thermophilic actinomycete Pseudonocardia thermophila.
PubMed:Isobutyramide activates transcription of human fetal gamma- and murine embryonic epsilon(y)-globin genes.
PubMed:[Isobutyramide activates transcription of human fetal gamma-globin gene selectively].
PubMed:Induction of fetal hemoglobin expression by the histone deacetylase inhibitor apicidin.
PubMed:Enantioselective synthesis of 2-substituted 2-phenylethylamines by lithiation-substitution sequences: synthetic development and mechanistic pathway.
PubMed:A New Structural Class of Bisindole Alkaloids from the Seeds of Catharanthus roseus: Vingramine and Methylvingramine.
PubMed:Overexpression of Bcl-2 regulates sodium butyrate- and/or docetaxel-induced apoptosis in human bladder cancer cells both in vitro and in vivo.
PubMed:Induction of the apolipoprotein AI gene by fasting: a relationship with ketosis but not with ketone bodies.
PubMed:Oral isobutyramide reduces transfusion requirements in some patients with homozygous beta-thalassemia.
PubMed:Enzymatic kinetic resolution of piperidine atropisomers: synthesis of a key intermediate of the farnesyl protein transferase inhibitor, SCH66336.
PubMed:Effects of ketoacidosis on rat apolipoprotein A1 gene expression: a link with acidosis but not with ketones.
PubMed:Oral isobutyramide therapy in patients with thalassemia intermedia: results of a phase II open study.
PubMed:A combination of hydroxyurea and isobutyramide to induce fetal hemoglobin in transgenic mice is more hematotoxic than the individual agents.
PubMed:Acyl transfer activity of an amidase from Rhodococcus sp. strain R312: formation of a wide range of hydroxamic acids.
PubMed:Butyrate trials.
PubMed:Butyrate analogue, isobutyramide, inhibits tumor growth and time to androgen-independent progression in the human prostate LNCaP tumor model.
PubMed:Optical spectroscopy of nicotinoprotein alcohol dehydrogenase from Amycolatopsis methanolica: a comparison with horse liver alcohol dehydrogenase and UDP-galactose epimerase.
PubMed:The protein conformation of Cd-substituted horse liver alcohol dehydrogenase and its metal-site coordination geometry in binary and ternary inhibitor complexes.
PubMed:Pharmacokinetics and safety of single oral doses of VX-366 (isobutyramide) in healthy volunteers.
PubMed:Isobutyramide therapy in patients with sickle cell anemia.
PubMed:Discordant effects of butyrate analogues on erythroleukemia cell proliferation, differentiation and histone deacetylase.
PubMed:Nanosecond time-resolved circular polarization of fluorescence: study of NADH bound to horse liver alcohol dehydrogenase.
PubMed:Analysis of equilibrium binding data obtained by linear-response spectroscopic techniques.
PubMed:Isobutyramide, an orally bioavailable butyrate analogue, stimulates fetal globin gene expression in vitro and in vivo.
PubMed:Purification and characterization of an amidase from an acrylamide-degrading Rhodococcus sp.
PubMed:Increased fetal hemoglobin production in patients receiving valproic acid for epilepsy.
PubMed:Butyrate derivatives. New agents for stimulating fetal globin production in the beta-globin disorders.
PubMed:Butyrate-induced reactivation of the fetal globin genes: a molecular treatment for the beta-hemoglobinopathies.
PubMed:The importance of alcohol dehydrogenase in regulation of ethanol metabolism in rat liver cells.
PubMed:Extremely long protection by pyrazole derivatives against chemically induced gastric mucosal injury.
PubMed:Room temperature phosphorescence of Trp-314 as a monitor of subunit communications in alcohol dehydrogenase from horse liver.
PubMed:Tryptophan luminescence from liver alcohol dehydrogenase in its complexes with coenzyme. A comparative study of protein conformation in solution.
PubMed:Degradation of Acetonitrile by Pseudomonas putida.
PubMed:Analysis of the inactivation of liver alcohol dehydrogenase during storage in Aerosol-OT/isooctane microemulsions.
PubMed:Deuterium isotope effects on ethanol oxidation in perfused rat liver and in rats and rabbits in vivo: application to determine the contribution of various pathways.
PubMed:Deuterium isotope effects as a tool in the study of ethanol oxidation in rat liver microsomes.
PubMed:Classical Raman spectroscopic studies of NADH and NAD+ bound to liver alcohol dehydrogenase by difference techniques.
PubMed:Active-site cobalt(II)-substituted horse liver alcohol dehydrogenase: characterization of intermediates in the oxidation and reduction processes as a function of pH.
PubMed:Reductases for carbonyl compounds in human liver.
PubMed:Kinetics of inhibition of ethanol metabolism in rats and the rate-limiting role of alcohol dehydrogenase.
PubMed:Steady-state kinetics of horse-liver alcohol dehydrogenase with a covalently bound coenzyme analogue.
PubMed:Inactivation of horse liver alcohol dehydrogenase by modification of cysteine residue 174 with 3-bromopropionic acid.
PubMed:Binding of NADH to horse liver alcohol dehydrogenase: dependence on concentration of benzaldehyde and benzyl alcohol.
PubMed:Involvement of histidine residues in the activity of horse liver alcohol dehydrogenase.
PubMed:Physiological function and kinetic mechanism of human liver alcohol dehydrogenase as 5 beta-cholestane-3 alpha,7 alpha,12 alpha,26-tetrol dehydrogenase.
PubMed:Alcohol dehydrogenase from the fruitfly Drosophila melanogaster. Inhibition studies of the alleloenzymes AdhS and AdhUF.
PubMed:pH variation of isotope effects in enzyme-catalyzed reactions. 2. Isotope-dependent step not pH dependent. Kinetic mechanism of alcohol dehydrogenase.
PubMed:Spectral evidence for tyrosine ionization linked to a conformational change in liver alcohol dehydrogenase ternary complexes.
PubMed:The interaction of liver alcohol dehydrogenase with NADH as studied by differential protein denaturation.
PubMed:The role of acetaldehyde in mediating the deleterious effect of ethanol on pyridoxal 5'-phosphate metabolism.
PubMed:Circular dichroic properties and conformation of thionicotinamide dinucleotides bound to horse-liver alcohol dehydrogenase.
PubMed:Water and nonelectrolyte permeability of lipid bilayer membranes.
PubMed:Dissociation and rate constants of some human liver alcohol dehydrogenase isoenzymes.
PubMed:Nuclear magnetic resonance studies of substrate interaction with cobalt substituted alcohol dehydrogenase from liver.
PubMed:Kinetic equivalence of the active sites of alcohol dehydrogenase from horse liver.
PubMed:The membrane action of antidiuretic hormone (ADH) on toad urinary bladder.
PubMed:Chemical relaxation studies on the system liver alcohol dehydrogenase, NADH and imidazole.
PubMed:Magnetic resonance studies of the geometry of bound nicotinamide adenine dinucleotide and isobutyramide on spin-labeled alcohol dehydrogenase.
PubMed:Temperature dependence of nonelectrolyte permeation across red cell membranes.
PubMed:Protein fluorescence of nicotinamide nucleotide-dependent dehydrogenases.
PubMed:Heterogeneity of liver alcohol dehydrogenase on starch-gel electrophoresis.
PubMed:Crystallization of binary and ternary complexes of horse liver alcohol dehydrogenase with DPNH and with DPNH and isobutyramide.
PubMed:On the ternary complex of liver alcohol dehydrogenase with reduced coenzyme and isobutyramide. Effect of p-chloromercuriphenyl sulfonate and stability of the complex.
 
Notes:
None found
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