Name: Name:3-Methyloxindole
Brand: AABLOCKS
SKU: AA001MIC
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA001MIC

Chemical Name: 3-Methyloxindole

CAS Number: 1504-06-9

Molecular Formula: C9H9NO

Molecular Weight: 147.1739

MDL Number: MFCD04037370

SMILES: O=C1Nc2c(C1C)cccc2

Properties

BP: 279.3°C at 760 mmHg

Form: Solid

MP: 117-121 °C(lit.)

Storage: Keep in dry area;Room Temperature;

Complexity: 178

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 11

Hydrogen Bond Acceptor Count: 1

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 0

Undefined Atom Stereocenter Count: 1

Undefined Bond Stereocenter Count: 0

XLogP3: 1.3

Literature fold

Title: Respective roles of CYP2A5 and CYP2F2 in the bioactivation of 3-methylindole in mouse olfactory mucosa and lung: studies using Cyp2a5-null and Cyp2f2-null mouse models.

Journal: Drug metabolism and disposition: the biological fate of chemicals20120401

Title: The pneumotoxin 3-methylindole is a substrate and a mechanism-based inactivator of CYP2A13, a human cytochrome P450 enzyme preferentially expressed in the respiratory tract.

Journal: Drug metabolism and disposition: the biological fate of chemicals20091001

Title: Porcine CYP2A19, CYP2E1 and CYP1A2 forms are responsible for skatole biotransformation in the reconstituted system.

Journal: Neuro endocrinology letters20090101

Title: Unbiased high-throughput screening of reactive metabolites on the linear ion trap mass spectrometer using polarity switch and mass tag triggered data-dependent acquisition.

Journal: Analytical chemistry20080815

Title: Palladium-catalyzed alpha-vinylation of carbonyl compounds.

Journal: Organic letters20071011

Title: Metabolism and bioactivation of 3-methylindole by human liver microsomes.

Journal: Chemical research in toxicology20070101

Title: The role of CYP2A and CYP2E1 in the metabolism of 3-methylindole in primary cultured porcine hepatocytes.

Journal: Drug metabolism and disposition: the biological fate of chemicals20060501

Title: Phase II in vitro metabolism of 3-methylindole metabolites in porcine liver.

Journal: Xenobiotica; the fate of foreign compounds in biological systems20030501

Title: Selective dehydrogenation/oxygenation of 3-methylindole by cytochrome p450 enzymes.

Journal: Drug metabolism and disposition: the biological fate of chemicals20010701

1504-06-9 | 3-Methyloxindole