Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Palmitic acid
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Theophylline-7-acetic acid
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652-37-9

652-37-9 structure

652-37-9 structure

Name: Acefylline
Chemical Name: Theophylline-7-Acetic Acid
CAS Number: 652-37-9
Molecular Formula: C₉H₁₀N₄O₄
Molecular Weight: 238.200
Catalog: Signaling Pathways GPCR/G Protein Adenosine Receptor
Create Date: 2018-07-04 16:12:40
Modify Date: 2026-07-01 11:47:56
Acefylline is an adenosine receptor antagonist.

Name	Theophylline-7-Acetic Acid
Synonyms	1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurine-7-aceticacid CAFFEINE CBOXYLIC ACID 7-Theophyline Acetic Acid 4 (Hydrochloride salt) 7H-Purine-7-aceticacid, 1,2,3,6-tetrahydro-1,3-diMethyl-2,6-dioxo 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid THEOPHYLLINEACETIC ACID LABOTEST-BB LT00053164 theophyllin-7-ylacetic acid Carboxymethyltheophylline 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxop (1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-PURIN-7-YL)-ACETIC ACID Acefylline, 10 mM in DMSO 2-(1,3-DiMethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid 7-THEOPHYLLINE ACETIC ACID achylline 7-Theophyllineacetic acid ACEFYLLINE (THEOPHYLLINE-7-ACETIC ACID) Theophylline-7-aceti 2-(p-Chlorphenoxy)-2-methylpropyl 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurine-7-acetate 7-(cboxymethyl)theophylline theophylline-7-acetic acid acephylline 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- (9ci) THEOPHYLLINE-7-ACETIC ACID THEOPHYLINE ACETIC ACID EINECS 211-490-2 7-theophyllinylaceticacid 1,3-DIMETHYLXANTHINE-7-ACETIC ACID 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetic Acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetate 7-Theophyline Acetic Acid(Achylline) acetyloxytheophylline Cboxymethyltheophylline (1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetic acid MFCD00022832 7-Theophyllinylacetic acid 2-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetic acid, (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)acetic acid 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-purine-7-aceticaci 1,2,3,6-Tetrahydro-1,3-diMethyl-2,6-dioxo-7H-purine-7-acetic Acid ACEFYLLINE 2-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetic acid Theophylline-ethylenediamine Impurity 8 N-7-Theophyllineacetic acidetheophylline-ethanoique-7 7-Theophyllinylessigsaeure Theophylline-7-aceticacid 7-(Carboxymethyl)theophylline 7-Theophyllinessigsaeure 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetic acid

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
Storage condition	Refrigerator

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

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