4-Methyldaphnetin

Modify Date: 2026-07-01 08:19:24

4-Methyldaphnetin structure	Common Name	4-Methyldaphnetin
	CAS Number	2107-77-9	Molecular Weight	192.168
	Density	1.5±0.1 g/cm3	Boiling Point	421.5±45.0 °C at 760 mmHg
	Molecular Formula	C₁₀H₈O₄	Melting Point	242-246 °C(lit.)
	MSDS	N/A	Flash Point	176.0±22.2 °C

Use of 4-Methyldaphnetin

4-Methyldaphnetin is a precursor in the synthesis of derivatives of 4-methyl coumarin. 4-Methyldaphnetin has potent, selective anti-proliferative and apoptosis-inducing effects on several cancer cell lines. 4-Methyldaphnetin possesses radical scavenging property and strongly inhibits membrane lipid peroxidation[1][2][3].

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	7,8-dihydroxy-4-methylchromen-2-one
Synonym	More Synonyms

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description	4-Methyldaphnetin is a precursor in the synthesis of derivatives of 4-methyl coumarin. 4-Methyldaphnetin has potent, selective anti-proliferative and apoptosis-inducing effects on several cancer cell lines. 4-Methyldaphnetin possesses radical scavenging property and strongly inhibits membrane lipid peroxidation[1][2][3].
Related Catalog	Signaling Pathways >> Apoptosis >> Apoptosis Research Areas >> Cancer
References	[1]. Vázquez R, et al. Pharmacodynamic study of the 7,8-dihydroxy-4-methylcoumarin-induced selective cytotoxicity toward U-937 leukemic cells versus mature monocytes: cytoplasmic p21(Cip1/WAF1) as resistance factor. Biochem Pharmacol. 2013 Jul 15;86(2):210-21. [2]. Jin X, et al. 7,8-Dihydroxy-4-methylcoumarin provides neuroprotection by increasing hippocalcin expression. Neurotox Res. 2015 Apr;27(3):268-74. [3]. Raj HG, et al. Mechanism of biochemical action of substituted 4-methylbenzopyran-2-ones. Part 5: Pulse radiolysis studies on the antioxidant action of 7,8-diacetoxy-4-methylcoumarin. Bioorg Med Chem. 1999 Sep;7(9):2091-4.

Description

Related Catalog

Signaling Pathways >> Apoptosis >> Apoptosis

Research Areas >> Cancer

References

[1]. Vázquez R, et al. Pharmacodynamic study of the 7,8-dihydroxy-4-methylcoumarin-induced selective cytotoxicity toward U-937 leukemic cells versus mature monocytes: cytoplasmic p21(Cip1/WAF1) as resistance factor. Biochem Pharmacol. 2013 Jul 15;86(2):210-21.

[2]. Jin X, et al. 7,8-Dihydroxy-4-methylcoumarin provides neuroprotection by increasing hippocalcin expression. Neurotox Res. 2015 Apr;27(3):268-74.

[3]. Raj HG, et al. Mechanism of biochemical action of substituted 4-methylbenzopyran-2-ones. Part 5: Pulse radiolysis studies on the antioxidant action of 7,8-diacetoxy-4-methylcoumarin. Bioorg Med Chem. 1999 Sep;7(9):2091-4.

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.5±0.1 g/cm3
Boiling Point	421.5±45.0 °C at 760 mmHg
Melting Point	242-246 °C(lit.)
Molecular Formula	C₁₀H₈O₄
Molecular Weight	192.168
Flash Point	176.0±22.2 °C
Exact Mass	192.042252
PSA	70.67000
LogP	1.95
Vapour Pressure	0.0±1.0 mmHg at 25°C
Index of Refraction	1.652
InChIKey	NWQBYMPNIJXFNQ-UHFFFAOYSA-N
SMILES	Cc1cc(=O)oc2c(O)c(O)ccc12
Storage condition	2-8°C

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

4-Methyldaphnetin MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GN6385000

CHEMICAL NAME :: Coumarin, 7,8-dihydroxy-4-methyl-

CAS REGISTRY NUMBER :: 2107-77-9

BEILSTEIN REFERENCE NO. :: 0177613

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H8-O4

MOLECULAR WEIGHT :: 192.18

WISWESSER LINE NOTATION :: T66 BOVJ E1 IQ JQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 180 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04864

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes	Xi: Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S26-S36/37
WGK Germany	3
RTECS	GN6385000
HS Code	2932209090

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 10
CAS#:141-97-9 Ethyl acetoacetate CAS#:87-66-1 Pyrogallol CAS#:105-45-3 Methyl acetoacetate CAS#:120-80-9 1,2-Benzenediol
CAS#:4525-25-1 methyl (Z)-3-hy... CAS#:75-77-4 Chlorotrimethyl... CAS#:64-19-7 acetic acid CAS#:68454-15-9 (8-acetyloxy-4-...
CAS#:674-82-8 Diketene CAS#:14003-96-4 4μ8C
DownStream 4
CAS#:68454-15-9 (8-acetyloxy-4-... CAS#:62113-97-7 4-methyl-7,8-bi... CAS#:54488-13-0 7-hydroxy-8-met... CAS#:404966-37-6 7,8-dimethoxy-2...

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code	2932209090
Summary	2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Induction of apoptosis in human U937 cells assessed as increase of caspase-8 cleavage...
Source: ChEMBL
Target: U-937
External Id: CHEMBL2216514

Name: Induction of apoptosis in human U937 cells assessed as activation of caspase-3 at 250...
Source: ChEMBL
Target: U-937
External Id: CHEMBL2216515

Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

Name: Induction of cell differentiation in human U937 cells assessed as increase of CD11b a...
Source: ChEMBL
Target: U-937
External Id: CHEMBL2216512

Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN

Name: Induction of apoptosis in human U937 cells assessed as activation of caspase-3 at 250...
Source: ChEMBL
Target: U-937
External Id: CHEMBL2216513

Name: Induction of apoptosis in human U937 cells assessed as active 11 kDa fragment of casp...
Source: ChEMBL
Target: U-937
External Id: CHEMBL2209386

Name: ERK5 transcriptional activity HTS
Source: 24565
Target: N/A
External Id: ERK5 transcriptional activity-HTS

Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN

Name: Induction of apoptosis in human U937 cells assessed as increase of caspase-9 cleavage...
Source: ChEMBL
Target: U-937
External Id: CHEMBL2216516

Total 158, Current Page 1 of 16

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

4-METHYLDAPHNETIN

7,8-dihydroxy-4-methyl-2H-1-benzopyran-2-one

7,8-Dihydroxy-4-methyl-2H-chromen-2-one

EINECS 218-290-4

7,8-dihydroxy-4-methyl-chromen-2-one

7,8-DIHYDROXY-4-METHYLCOUMARIN

4-methyl-7,8-dihydroxycoumarin

Coumarin,7,8-dihydroxy-4-methyl

MFCD00016972

7,8-dihydroxy-4-methyl-2H-2-chromenone

4-Methyldaphnetine

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the CAS number of 7,8-dihydroxy-4-methylchromen-2-one?

A: CAS number of 7,8-dihydroxy-4-methylchromen-2-one is 2107-77-9.

Q: What are the downstream products of 7,8-dihydroxy-4-methylchromen-2-one?

A: Related downstream products(CAS) of 7,8-dihydroxy-4-methylchromen-2-one: 68454-15-9;62113-97-7;54488-13-0;404966-37-6.

Q: What is the molecular formula of 7,8-dihydroxy-4-methylchromen-2-one?

A: Molecular formula of 7,8-dihydroxy-4-methylchromen-2-one is C10H8O4.

Q: What is the safety information for 7,8-dihydroxy-4-methylchromen-2-one?

A: Safety information for 7,8-dihydroxy-4-methylchromen-2-one: S26-S36/37.

Q: What are the upstream materials of 7,8-dihydroxy-4-methylchromen-2-one?

A: Related upstream materials(CAS) of 7,8-dihydroxy-4-methylchromen-2-one: 141-97-9;87-66-1;105-45-3;120-80-9;4525-25-1;75-77-4;64-19-7;68454-15-9;674-82-8;14003-96-4.

Q: What is the InChIKey of 7,8-dihydroxy-4-methylchromen-2-one?

A: InChIKey of 7,8-dihydroxy-4-methylchromen-2-one is NWQBYMPNIJXFNQ-UHFFFAOYSA-N.

Q: What is the molecular weight of 7,8-dihydroxy-4-methylchromen-2-one?

A: Molecular weight of 7,8-dihydroxy-4-methylchromen-2-one is 192.168.

Q: What is the SMILES notation of 7,8-dihydroxy-4-methylchromen-2-one?

A: SMILES notation of 7,8-dihydroxy-4-methylchromen-2-one is Cc1cc(=O)oc2c(O)c(O)ccc12.

Q: What is the English name of 7,8-dihydroxy-4-methylchromen-2-one?

A: The English name of 7,8-dihydroxy-4-methylchromen-2-one is 7,8-dihydroxy-4-methylchromen-2-one.

Q: What are the uses of 7,8-dihydroxy-4-methylchromen-2-one?

A: Main uses of 7,8-dihydroxy-4-methylchromen-2-one: 4-Methyldaphnetin is a precursor in the synthesis of derivatives of 4-methyl coumarin. 4-Methyldaphnetin has potent, selective anti-proliferative and apoptosis-inducing effects on several cancer cell lines. 4-Methyldaphnetin possesses radical scavenging property and strongly inhibits membrane lipid peroxidation[1][2][3].

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

BioBioPha

Dayang Chem (Hangzhou) Co., Ltd.

naturewill

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 4-Methyldaphnetin
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

BioBioPha
China
Product Name: 4-Methyldaphnetin
Price: ￥Inquiry/5mg
Purity: 98.0%
Delivery: 10 Day
Contact: Xueping-Zheng
Email: 1477035482@qq.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 2H-1-Benzopyran-2-one,7,8-dihydroxy-4-methyl-
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-Methyldaphnetin
Price: ￥Inquiry/5mg ￥Inquiry/20mg ￥Inquiry/100mg ￥Inquiry/1g
Purity: 98.0%
Delivery: Inquiry
Contact: Bella
Email: 3157321941@qq.com

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