4,5-Dimethoxycanthin-6-one

Modify Date: 2025-08-24 22:24:20

4,5-Dimethoxycanthin-6-one structure	Common Name	4,5-Dimethoxycanthin-6-one
	CAS Number	18110-87-7	Molecular Weight	280.278
	Density	1.4±0.1 g/cm3	Boiling Point	455.1±45.0 °C at 760 mmHg
	Molecular Formula	C₁₆H₁₂N₂O₃	Melting Point	145-146 °C
	MSDS	N/A	Flash Point	229.0±28.7 °C

Use of 4,5-Dimethoxycanthin-6-one

4,5-Dimethoxycanthin-6-one is a potent and uncompetitive inhibitor of CYP1A2-mediated phenacetin O-deethylation with an IC50 value of 1.7μM and a Ki value of 2.6 μM. 4,5-Dimethoxycanthin-6-one, as an alkaloid, is isolated from the wood of Picrasma quassioides BENNET (Simaroubaceae)[1][2].

Name	4,5-Dimethoxycanthin-6-one
Synonym	More Synonyms

Description	4,5-Dimethoxycanthin-6-one is a potent and uncompetitive inhibitor of CYP1A2-mediated phenacetin O-deethylation with an IC50 value of 1.7μM and a Ki value of 2.6 μM. 4,5-Dimethoxycanthin-6-one, as an alkaloid, is isolated from the wood of Picrasma quassioides BENNET (Simaroubaceae)[1][2].
Related Catalog	Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 Research Areas >> Metabolic Disease
Target	CYP1A2:1.7 μM (IC50) CYP1A2:2.6 μM (Ki)
In Vitro	4,5-Dimethoxycanthin-6-one is a potent and uncompetitive inhibitor of CYP1A2-mediated phenacetin O-deethylation with an IC50 value of 1.7μM and a Ki value of 2.6 μM[2].
References	[1]. Taichi O, et al. Studies on the Constituents of Picrasma quassioides BENNET. III. The Alkaloidal Constituents [2]. Miao X,et al. In vitro metabolism of 4, 5-dimethoxycanthin-6-one by human liver microsomes and its inhibition on human CYP1A2. Life Sci. 2017;190:46-51.

Density	1.4±0.1 g/cm3
Boiling Point	455.1±45.0 °C at 760 mmHg
Melting Point	145-146 °C
Molecular Formula	C₁₆H₁₂N₂O₃
Molecular Weight	280.278
Flash Point	229.0±28.7 °C
Exact Mass	280.084778
PSA	52.83000
LogP	2.16
Vapour Pressure	0.0±1.1 mmHg at 25°C
Index of Refraction	1.688
InChIKey	ATONBUGCNDSBBC-UHFFFAOYSA-N
SMILES	COc1c(OC)c2nccc3c4ccccc4n(c1=O)c23

Hazard Codes	Xi

diazomethane

CAS#:186581-53-3

5-Hydroxy-4-met...

CAS#:18110-86-6

4,5-Dimethoxyca...

CAS#:18110-87-7

Literature: Ohmoto, Taichi; Koike, Kazuo Chemical & Pharmaceutical Bulletin, 1984 , vol. 32, # 9 p. 3579 - 3583

diazomethane

CAS#:186581-53-3

Picrasidine Q

CAS#:101219-61-8

4,5-Dimethoxyca...

CAS#:18110-87-7

Literature: Ohmoto; Koike Chemical and Pharmaceutical Bulletin, 1985 , vol. 33, # 11 p. 4901 - 4905

Precursor 2
CAS#:186581-53-3 diazomethane CAS#:18110-86-6 5-Hydroxy-4-met...
DownStream 2
CAS#:3464-66-2 1-Methoxycarbon... CAS#:17337-22-3 1-(Hydroxymethy...

Name: Cytotoxicity against human A549 cells by MTT assay
Source: ChEMBL
Target: A549
External Id: CHEMBL2388451

Name: Cytotoxicity against human BGC823 cells by MTT assay
Source: ChEMBL
Target: BGC-823
External Id: CHEMBL2388450

Name: Cytotoxicity against human Bel7402 cells by MTT assay
Source: ChEMBL
Target: Bel-7402
External Id: CHEMBL2388449

Name: Antiviral activity against Coxsackievirus B3 infected in african green monkey Vero ce...
Source: ChEMBL
Target: Coxsackievirus
External Id: CHEMBL2388454

Name: Antioxidant activity in rat liver microsome assessed as inhibition of Fe2+-cysteine-i...
Source: ChEMBL
Target: Liver microsomes
External Id: CHEMBL2388453

Name: Cytotoxicity against human CNE-2 cells incubated for 48 hrs by MTT assay
Source: ChEMBL
Target: CNE-2
External Id: CHEMBL5242172

Name: Cytotoxicity against human A2780 cells by MTT assay
Source: ChEMBL
Target: A2780
External Id: CHEMBL2388448

Name: Cytotoxicity against human HCT8 cells by MTT assay
Source: ChEMBL
Target: HCT-8
External Id: CHEMBL2388447

Name: Antiviral activity against Tobacco mosaic virus U1 (TMV) infected Nicotiana tabacum c...
Source: ChEMBL
Target: Tobacco mosaic virus
External Id: CHEMBL3047357

Name: Antiviral activity against Tobacco mosaic virus U1 (TMV) infected Nicotiana tabacum c...
Source: ChEMBL
Target: Tobacco mosaic virus
External Id: CHEMBL3047358

Total 19, Current Page 1 of 2

Nigakinon-methylether

Methyl nigakinone

4,5-Dimethoxy-canthin-6-on

4,5-Dimethoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one

4,5-dimethoxy-6H-indolo[3,2,1-de]-1,5-naphthyridin-6-one

4,5-Dimethoxy-6-oxo-6H-indolo<3.2.1-de><1.5>naphthyridin

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 4,5-Dimethoxycanthin-6-one
Price: Check
Purity: 98.0%
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BioBioPha
China
Product Name: 4,5-Dimethoxycanthin-6-one
Price: ￥800.0/5mg
Purity: 97.0%
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 4,5-DIMETHOXYCANTHIN-6-ONE
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

naturewill
China
Product Name: 4,5-Dimethoxycanthin-6-one
Price: ￥Inquiry/5mg ￥Inquiry/20mg ￥Inquiry/100mg ￥Inquiry/1g
Purity: 98.0%
Delivery: Inquiry
Contact: Bella
Email: 3157321941@qq.com

Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: 4,5-Dimethoxycanthin-6-one
Price: ￥4480.0/5mg
Purity: 98.0%
Delivery: 3 Day
Contact: Liu jia
Email: 2130147988@qq.com

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.