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Merck
CN

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
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Quality Level

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

Regulatory Information

危险化学品

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The Preparation of 3-Aminoisoquinoline and Related Compounds1.
Journal of the American Chemical Society, 73(2), 688-689 (1951)
Elisabetta Muntoni et al.
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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
Kunal Roy et al.
European journal of medicinal chemistry, 44(5), 1941-1951 (2008-12-27)
A series of naphthalene and non-naphthalene derivatives (n=42) having cytochrome P450 2A6 and 2A5 inhibitory activities, reported by Rahnasto et al., were subjected to QSAR and QAAR studies. The analyses were performed using electronic, spatial, shape and thermodynamic descriptors to
Laura E Korhonen et al.
Journal of medicinal chemistry, 48(11), 3808-3815 (2005-05-27)
The purpose of this study was to determine the cytochrome P450 1A2 (CYP1A2) inhibition potencies of structurally diverse compounds to create a comprehensive three-dimensional quantitative structure-activity relationship (3D-QSAR) model of CYP1A2 inhibitors and to use this model to predict the

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