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129895

Sigma-Aldrich

3-Methylisoquinoline

98%

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About This Item

Empirical Formula (Hill Notation):
C10H9N
CAS Number:
1125-80-0
Molecular Weight:
143.19
EC Number:
214-412-5
MDL number:
MFCD00024139
UNSPSC Code:
12352100
PubChem Substance ID:
24847932
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
GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
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
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