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Identification
Name Dimethylformamide
Accession Number DB01844 (EXPT01224)
Type small molecule
Groups experimental
Description Not Available
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms Not Available
Salts Not Available
Brand names Not Available
Brand mixtures Not Available
Categories Not Available
CAS number 68-12-2
Weight Average: 73.0938
Monoisotopic: 73.052763851
Chemical Formula C3H7NO
InChI Key InChIKey=ZMXDDKWLCZADIW-UHFFFAOYSA-N
InChI
InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
Plain Text
IUPAC Name
N,N-dimethylformamide
SMILES
CN(C)C=O
Plain Text
Mass Spec Not Available
Taxonomy
Kingdom Not Available
Classes Not Available
Substructures Not Available
Pharmacology
Indication Not Available
Pharmacodynamics Not Available
Mechanism of action Not Available
Absorption Not Available
Volume of distribution Not Available
Protein binding Not Available
Metabolism
Not Available
Route of elimination Not Available
Half life Not Available
Clearance Not Available
Toxicity Not Available
Affected organisms Not Available
Pathways Not Available
Pharmacoeconomics
Manufacturers Not Available
Packagers Not Available
Dosage forms Not Available
Prices Not Available
Patents Not Available
Properties
State solid
Experimental Properties
Property Value Source
melting point -60.4 °C PhysProp
boiling point 153 °C PhysProp
water solubility 1E+006 mg/L (at 25 °C) ISHOW (NA--) @2ND
logP -1.01 HANSCH,C ET AL. (1995)
Predicted Properties
Property Value Source
water solubility 7.25e+02 g/l ALOGPS
logP -0.77 ALOGPS
logP -0.63 ChemAxon
logS 1 ALOGPS
pKa (strongest basic) -0.65 ChemAxon
physiological charge 0 ChemAxon
hydrogen acceptor count 1 ChemAxon
hydrogen donor count 0 ChemAxon
polar surface area 20.31 ChemAxon
rotatable bond count 0 ChemAxon
refractivity 19.77 ChemAxon
polarizability 7.69 ChemAxon
References
Synthesis Reference Not Available
General Reference
  1. Redlich CA, Beckett WS, Sparer J, Barwick KW, Riely CA, Miller H, Sigal SL, Shalat SL, Cullen MR: Liver disease associated with occupational exposure to the solvent dimethylformamide. Ann Intern Med. 1988 May;108(5):680-6. Pubmed
External Links
Resource Link
KEGG Compound C03134 Link_out
PubChem Compound 6228 Link_out
PubChem Substance 46506036 Link_out
ChemSpider 5993 Link_out
ChEBI 17741 Link_out
ChEMBL 17741 Link_out
HET DMF Link_out
Wikipedia http://en.wikipedia.org/wiki/Dimethylformamide Link_out
ATC Codes Not Available
AHFS Codes Not Available
PDB Entries
FDA label Not Available
MSDS Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available
Targets

1. Chymotrypsin-like elastase family member 1

Pharmacological action: unknown

Acts upon elastin

Organism class: human
UniProt ID: Q9UNI1 Link_out
Gene: CELA1 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. Pubmed

2. Renin

Pharmacological action: unknown

Renin is a highly specific endopeptidase, whose only known function is to generate angiotensin I from angiotensinogen in the plasma, initiating a cascade of reactions that produce an elevation of blood pressure and increased sodium retention by the kidney

Organism class: human
UniProt ID: P00797 Link_out
Gene: REN Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. Pubmed
Comments
Drug created on June 13, 2005 07:24 / Updated on February 08, 2013 16:20