Home Indole and Oxindoles 95-20-5
95-20-5,MFCD00005616
Catalog No.:AA003HMR
95-20-5 | 2-Methylindole
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25g
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HMR
Chemical Name:
2-Methylindole
CAS Number:
95-20-5
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
MDL Number:
MFCD00005616
IUPAC Name:
2-methyl-1H-indole
InChI:
InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3
InChI Key:
BHNHHSOHWZKFOX-UHFFFAOYSA-N
SMILES:
Cc1cc2c([nH]1)cccc2
EC Number:
202-398-3
UNII:
I7CN58827I
NSC Number:
7514
Properties
Computed Properties
 
Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.073g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
131.178g/mol
Monoisotopic Mass:
131.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
2-methylindole 
2-methylindole sodium salt 
2-Methylindole, 98% 
NSC 7514 
EINECS 202-398-3 
AI3-03945 
CHEBI:49402 
BHNHHSOHWZKFOX-UHFFFAOYSA-N 
I7CN58827I 
F0290-0682 
2-methylindol 
Methylketole 
2-METHYLINDOLE 
methyl indole 
2-methyl-indole 
PubChem7504 
2-methyl-1-H-indole 
ACMC-209rxz 
AC1L1OAA 
SCHEMBL12420 
KSC486Q8R 
Indole, 2-methyl- (8CI) 
SCHEMBL377807 
2-Methyl-1H-indole 
ARONIS020142 
CHEMBL259419 
DTXSID5059117 
CTK3I6888 
KS-00004BXK 
NSC7514 
KUC106612N 
2-Methylindole, analytical standard 
ACT07545 
KSC-09-215A 
95-20-5 
NSC-7514 
STR01200 
ZINC1088076 
AC-611 
ANW-40485 
SBB058480 
STK044221 
AKOS000119568 
CG-0500 
CS-W007556 
1H-Indole, 2-methyl- 
MCULE-9033876547 
RP19965 
RTC-066332 
SB14955 
VI30173 
KS-000005V9 
TRA-0184593 
NCGC00342152-01 
AJ-25013 
AK-44448 
Indole, 2-methyl- 
AN-15673 
BC200996 
BR-44448 
CJ-04762 
LS-83246 
LS-83247 
SC-07430 
SC-25318 
ST040425 
ZB016000 
2-METHYL INDOLE 
DB-031753 
TC-066332 
TL8005985 
2-Methylindole, purum, >=97.5% (HPLC) 
FT-0612877 
FT-0613057 
M0346 
ST24032510 
M-3895 
M-5887 
MFCD00005616 
AB00375786-04 
S10-0022 
Z57200682 
InChI=1/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H 
2MI 
methylindole 
C9H9N 
BENZOXAZOLE, 2-METHYL- 
C9-H9-N 
CID7224 
UNII-I7CN58827I 
1-Chloro-3,5-dimethoxy-2-nitrobenzene 
2-Methylindole, 98% - 100G 100g 
A11136 
90-25-5 
95-21-6 
Literature

Title: 7 Methyl indole ethyl isothiocyanate causes ROS mediated apoptosis and cell cycle arrest in endometrial cancer cells.

Journal: Gynecologic oncology 20120801

Title: Biocatalytic synthesis and structure elucidation of cyclized metabolites of the deacetylase inhibitor panobinostat (LBH589).

Journal: Drug metabolism and disposition: the biological fate of chemicals 20120501

Title: Prospective acetylcholinesterase inhibitory activity of indole and its analogs.

Journal: Bioorganic & medicinal chemistry letters 20120415

Title: Direct functionalization of (un)protected tetrahydroisoquinoline and isochroman under iron and copper catalysis: two metals, two mechanisms.

Journal: The Journal of organic chemistry 20111104

Title: [Interaction of cucurbit [n = 7, 8] with methylindoles via fluorescence spectroscopy].

Journal: Guang pu xue yu guang pu fen xi = Guang pu 20110601

Title: Real-time reaction monitoring using ion mobility-mass spectrometry.

Journal: The Analyst 20110421

Title: Synthetic studies on indolocarbazoles: total synthesis of staurosporine aglycon.

Journal: Organic letters 20110318

Title: Lung adenocarcinoma originates from retrovirus infection of proliferating type 2 pneumocytes during pulmonary post-natal development or tissue repair.

Journal: PLoS pathogens 20110301

Title: Solid-phase microextraction and the human fecal VOC metabolome.

Journal: PloS one 20110101

Title: Bioactivation of a novel 2-methylindole-containing dual chemoattractant receptor-homologous molecule expressed on T-helper type-2 cells/D-prostanoid receptor antagonist leads to mechanism-based CYP3A inactivation: glutathione adduct characterization and prediction of in vivo drug-drug interaction.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20100501

Title: Cytosolic action of phytochelatin synthase.

Journal: Plant physiology 20100501

Title: The relevance of the collaborative effect in determining the performances of photorefractive polymer materials.

Journal: Chemphyschem : a European journal of chemical physics and physical chemistry 20100201

Title: The Anopheles gambiae odorant binding protein 1 (AgamOBP1) mediates indole recognition in the antennae of female mosquitoes.

Journal: PloS one 20100101

Title: An odorant receptor from the southern house mosquito Culex pipiens quinquefasciatus sensitive to oviposition attractants.

Journal: PloS one 20100101

Title: Carbon nucleophilicities of indoles in S(N)Ar substitutions of superelectrophilic 7-chloro-4,6-dinitrobenzofuroxan and -benzofurazan.

Journal: The Journal of organic chemistry 20090501

Title: A novel hydroxyfuroic acid compound as an insulin receptor activator. Structure and activity relationship of a prenylindole moiety to insulin receptor activation.

Journal: Journal of biomedical science 20090101

Title: Synthesis and pharmacological evaluation of peptide-mimetic protease-activated receptor-1 antagonists containing novel heterocyclic scaffolds.

Journal: Bioorganic & medicinal chemistry 20080601

Title: Novel multicomponent reactions involving isoquinoline or phenanthridine and activated acetylenic ester in the presence of heterocyclic NH or 1,3-dicarbonyl compounds.

Journal: Molecular diversity 20080501

Title: Synthesis and cytotoxicity studies of new morpholino-functionalised and N-heteroaryl-substituted titanocene anticancer drugs.

Journal: Medicinal chemistry (Shariqah (United Arab Emirates)) 20080301

Title: Sub-parts per billion detection of trace volatile chemicals in human breath using selected ion flow tube mass spectrometry.

Journal: BMC research notes 20080101

Title: Development and validation of a method for simultaneous analysis of the boar taint compounds indole, skatole and androstenone in pig fat using liquid chromatography-multiple mass spectrometry.

Journal: Journal of chromatography. A 20071207

Title: Indolequinone antitumour agents: correlation between quinone structure and rate of metabolism by recombinant human NAD(P)H:quinone oxidoreductase.

Journal: Organic & biomolecular chemistry 20070521

Title: Functional characterization of two melanocortin (MC) receptors in lamprey showing orthology to the MC1 and MC4 receptor subtypes.

Journal: BMC evolutionary biology 20070101

Title: CH/pi interactions involving aromatic amino acids: refinement of the CHARMM tryptophan force field.

Journal: Journal of computational chemistry 20051115

Title: Indole ring oxidation by activated leukocytes prevents the production of hypochlorous acid.

Journal: Brazilian journal of medical and biological research = Revista brasileira de pesquisas medicas e biologicas 20051101

Title: The reaction of indole with the aminoacrylate intermediate of Salmonella typhimurium tryptophan synthase: observation of a primary kinetic isotope effect with 3-[(2)H]indole.

Journal: Archives of biochemistry and biophysics 20041215

Title: Adsorption of indole and 2-methylindole on ligand-exchange matrix.

Journal: Journal of colloid and interface science 20041001

Title: Primary electron-transfer dynamics in 2-phenylindole-9-cyanoanthracene system. A comparative study with 2-methylindole.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20040701

Title: Spirobipyridopyrans, spirobinaphthopyrans, indolinospiropyridopyrans, indolinospironaphthopyrans and indolinospironaphtho-1,4-oxazines: synthesis, study of X-ray crystal structure, antitumoral and antiviral evaluation.

Journal: Bioorganic & medicinal chemistry 20040301

Title: Rapid radical formation by DNA charge transport through sequences lacking intervening guanines.

Journal: Journal of the American Chemical Society 20030604

Title: HPLC of tryptophan and its metabolites: as OPA derivatives and on the basis of their UV and fluorescence spectra, simultaneously.

Journal: Advances in experimental medicine and biology 20030101

Title: Novel reversible indole-3-carboxylate decarboxylase catalyzing nonoxidative decarboxylation.

Journal: Bioscience, biotechnology, and biochemistry 20021101

Title: DNA mediated charge transport: characterization of a DNA radical localized at an artificial nucleic acid base.

Journal: Journal of the American Chemical Society 20020807

Title: Nature of non-radiative processes involved in the excited state of 9-cyanoanthracene in presence of 2-methylindole/2-methylindoline quenchers. A laser flash photolysis study to reveal the medium effects.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20020601

Title: Relationship between structures of substituted indolic compounds and their degradation by marine anaerobic microorganisms.

Journal: Marine pollution bulletin 20020101

Title: The oxidation of indole derivatives catalyzed by horseradish peroxidase is highly chemiluminescent.

Journal: Archives of biochemistry and biophysics 20010315

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