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129895

Sigma-Aldrich

3-Methylisoquinoline

98%

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About This Item

Empirical Formula (Hill Notation):
C10H9N
CAS Number:
Molecular Weight:
143.19
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

98%

bp

251 °C (lit.)

mp

63-65 °C (lit.)

SMILES string

Cc1cc2ccccc2cn1

InChI

1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7H,1H3

InChI key

FVVXWRGARUACNW-UHFFFAOYSA-N

Gene Information

human ... CYP1A2(1544)

General description

The metabolites of 3-methylisoquinoline were separated by adsorption and reversed-phase high-performance liquid chromatography (HPLC).

Application

3-Methylisoquinoline was used to prepare 3-aminoisoquinoline.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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C Stubley et al.
Journal of chromatography, 177(2), 313-322 (1979-09-21)
Adsorption and reversed-phase high-performance liquid chromatography (HPLC) have been successfully used to separate metabolites from the parent heterocycles (isoquinoline, 3-methylisoquinoline, phthalazine, quinazoline, quinoxaline and cinnoline). Retention data are reported. The metabolites, hydroxyazanaphthalenes, which arise as a result of aldehyde oxidase
The Preparation of 3-Aminoisoquinoline and Related Compounds1.
Journal of the American Chemical Society, 73(2), 688-689 (1951)
Elisabetta Muntoni et al.
Pharmaceutics, 11(2) (2019-02-06)
Glioblastoma is the most common and invasive primary tumor of the central nervous system and normally has a negative prognosis. Biodistribution in healthy animal models is an important preliminary study aimed at investigating the efficacy of chemotherapy, as it is
Markus Brinkmann et al.
Chemical research in toxicology, 32(4), 698-707 (2019-03-22)
Hydroxylation of polyaromatic compounds through cytochromes P450 (CYPs) is known to result in potentially estrogenic transformation products. Recently, there has been an increasing awareness of the importance of alternative pathways such as aldehyde oxidases (AOX) or N-methyltransferases (NMT) in bioactivation
Minna Rahnasto et al.
Journal of medicinal chemistry, 48(2), 440-449 (2005-01-22)
The purpose of this study was to develop screening and in silico modeling methods to obtain accurate information on the active center of CYP2A6, a nicotine oxidizing enzyme. The inhibitory potencies of 26 naphthalene and 16 non-naphthalene derivatives were determined

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