Acefylline

Modify Date: 2025-08-21 17:40:47

Acefylline structure	Common Name	Acefylline
	CAS Number	652-37-9	Molecular Weight	238.200
	Density	1.6±0.1 g/cm3	Boiling Point	555.7±56.0 °C at 760 mmHg
	Molecular Formula	C₉H₁₀N₄O₄	Melting Point	270-272 °C
	MSDS	N/A	Flash Point	289.9±31.8 °C

Use of Acefylline

Acefylline is an adenosine receptor antagonist.

Name	Theophylline-7-Acetic Acid
Synonym	More Synonyms

Description	Acefylline is an adenosine receptor antagonist.
Related Catalog	Signaling Pathways >> GPCR/G Protein >> Adenosine Receptor Research Areas >> Cancer
Target	adenosine receptor[1]
References	[1]. Ferretti C, et al. Inhibitory effect of theophylline, theophylline-7-acetic acid, ambroxol and ambroxol-theophylline-7-acetate on rat lung cAMP phosphodiesterase isoenzymes. Int J Tissue React. 1992;14(1):31-6.

Density	1.6±0.1 g/cm3
Boiling Point	555.7±56.0 °C at 760 mmHg
Melting Point	270-272 °C
Molecular Formula	C₉H₁₀N₄O₄
Molecular Weight	238.200
Flash Point	289.9±31.8 °C
Exact Mass	238.070206
PSA	99.12000
LogP	-0.49
Vapour Pressure	0.0±1.6 mmHg at 25°C
Index of Refraction	1.714
InChIKey	HCYFGRCYSCXKNQ-UHFFFAOYSA-N
SMILES	Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O
Storage condition	Refrigerator

Acefylline MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UO7451300

CHEMICAL NAME :: Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-

CAS REGISTRY NUMBER :: 652-37-9

BEILSTEIN REFERENCE NO. :: 0279221

LAST UPDATED :: 199612

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C9-H10-N4-O4

MOLECULAR WEIGHT :: 238.23

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >5 gm/kg

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

REFERENCE :: USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4035366

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >500 mg/kg

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

REFERENCE :: USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4035366

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2733 mg/kg

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

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 116,343,1956

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1180 mg/kg

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

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 116,343,1956

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >500 mg/kg

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

REFERENCE :: USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4035366

Hazard Codes	Xi:Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S26-S36
WGK Germany	2
RTECS	UO7451300

Name: Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
Source: NCGC
External Id: SNCA-p-activity-luciferase

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: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity

Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA

Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN

Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482

Total 258, Current Page 1 of 26

EINECS 211-490-2

MFCD00022832

7-Theophyllinylacetic acid

7-Theophyllineacetic acid

Acefylline

1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetic Acid

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid

Carboxymethyltheophylline

acetyloxytheophylline

theophylline-7-acetic acid

acephylline

7-(Carboxymethyl)theophylline

(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetic acid

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

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Theophylline-7-acetic acid
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: Acefylline
Price: ￥338.0/25g ￥108.0/5g
Purity: 98.0%
Delivery: 2 Day
Contact: Liu jia
Email: 2130147988@qq.com

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Acefylline suppliers

Price: $66/10mM*1mLinDMSO

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Acefylline

Use of Acefylline

Names

Acefylline Biological Activity

Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

AcefyllineBioassay

Synonyms

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.