CAS 479-18-5|Diprophylline

Introduction：Basic information about CAS 479-18-5|Diprophylline, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Diprophylline BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles31
8. Synonyms

Common Name	Diprophylline
CAS Number	479-18-5	Molecular Weight	254.243
Density	1.6±0.1 g/cm3	Boiling Point	589.6±60.0 °C at 760 mmHg
Molecular Formula	C₁₀H₁₄N₄O₄	Melting Point	161-162 °C(lit.)
MSDS	ChineseUSA	Flash Point	310.4±32.9 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	dyphylline
Synonym	More Synonyms

Diprophylline BiologicalActivity

Description	Dyphylline acts as an adenosine receptor antagonist and phosphodiesterase inhibitor, which is used in the treatment of respiratory disorders.Target: Adenosine Receptor; PDEDyphylline (trade names Dilor, Lufyllin), also known as diprophylline, is a xanthine derivative with bronchodilator and vasodilator effects. It is used in the treatment of respiratory disorders like asthma, cardiac dyspnea, and bronchitis. It acts as an adenosine receptor antagonist and phosphodiesterase inhibitor.
Related Catalog	Signaling Pathways >>GPCR/G Protein >>Adenosine ReceptorSignaling Pathways >>Metabolic Enzyme/Protease >>Phosphodiesterase (PDE)Research Areas >>Infection
References	[1]. Schwabe U, et al. Xanthine derivatives as antagonists at A1 and A2 adenosine receptors. Naunyn Schmiedebergs Arch Pharmacol. 1985 Sep;330(3):212-21. [2]. Iancu L, et al. Trials with xanthine derivatives in systemic treatment of psoriasis. Dermatologica. 1979;159(1):55-61.

Description

Dyphylline acts as an adenosine receptor antagonist and phosphodiesterase inhibitor, which is used in the treatment of respiratory disorders.Target: Adenosine Receptor; PDEDyphylline (trade names Dilor, Lufyllin), also known as diprophylline, is a xanthine derivative with bronchodilator and vasodilator effects. It is used in the treatment of respiratory disorders like asthma, cardiac dyspnea, and bronchitis. It acts as an adenosine receptor antagonist and phosphodiesterase inhibitor.

Related Catalog

Signaling Pathways >>GPCR/G Protein >>Adenosine ReceptorSignaling Pathways >>Metabolic Enzyme/Protease >>Phosphodiesterase (PDE)Research Areas >>Infection

References

[1]. Schwabe U, et al. Xanthine derivatives as antagonists at A1 and A2 adenosine receptors. Naunyn Schmiedebergs Arch Pharmacol. 1985 Sep;330(3):212-21.

[2]. Iancu L, et al. Trials with xanthine derivatives in systemic treatment of psoriasis. Dermatologica. 1979;159(1):55-61.

Chemical & Physical Properties

Density	1.6±0.1 g/cm3
Boiling Point	589.6±60.0 °C at 760 mmHg
Melting Point	161-162 °C(lit.)
Molecular Formula	C₁₀H₁₄N₄O₄
Molecular Weight	254.243
Flash Point	310.4±32.9 °C
Exact Mass	254.101501
PSA	102.28000
LogP	-1.10
Vapour Pressure	0.0±1.7 mmHg at 25°C
Index of Refraction	1.689
InChIKey	KSCFJBIXMNOVSH-UHFFFAOYSA-N
SMILES	Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O
Storage condition	Hygroscopic, Refrigerator, Under Inert Atmosphere
Water Solubility	33 g/100 mL (25 ºC)

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5100000

CHEMICAL NAME :: Theophylline, 7-(2,3-dihydroxypropyl)-

CAS REGISTRY NUMBER :: 479-18-5

BEILSTEIN REFERENCE NO. :: 0284563

LAST UPDATED :: 199701

DATA ITEMS CITED :: 10

MOLECULAR FORMULA :: C10-H14-N4-O4

MOLECULAR WEIGHT :: 254.28

WISWESSER LINE NOTATION :: T56 BN DN FNVNVJ B1YQ1Q F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >400 mg/kg

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

REFERENCE :: JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 35,266,1946

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1253 mg/kg

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

REFERENCE :: AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 230,194,1957

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 860 mg/kg

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

REFERENCE :: AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 230,194,1957

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1954 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 :: 195 mg/kg

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

REFERENCE :: STRAAA Strahlentherapie. (Urban & Schwarzenberg, Postfach 202440, D-8000 Munich 2, Fed. Rep. Ger.) V.1- 1912- Volume(issue)/page/year: 127,245,1965

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1052 mg/kg

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

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 6,601,1956

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1080 mg/kg

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

REFERENCE :: RPOBAR Research Progress in Organic-Biological and Medicinal Chemistry. (New York, NY) V.1-3, 1964-72. Discontinued. Volume(issue)/page/year: 2,288,1970 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80405 No. of Facilities: 68 (estimated) No. of Industries: 1 No. of Occupations: 6 No. of Employees: 2770 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80405 No. of Facilities: 38 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 795 (estimated) No. of Female Employees: 486 (estimated)

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H302
Precautionary Statements	P301 + P312 + P330
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xn:Harmful
Risk Phrases	R22
Safety Phrases	S36
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	XH5100000
HS Code	2939590000

Customs

HS Code	2939590000

Articles31

Prediction of volume of distribution values in human using immobilized artificial membrane partitioning coefficients, the fraction of compound ionized and plasma protein binding data

Eur. J. Med. Chem. 44 , 4455-60, (2009)

We developed an improved Lombardeo's method (J. Med. Chem., 2004) for prediction of VD ss in human. With Elog D substituted by log k IAM, together with f i (7.4) (the fraction of compound ionized at p...

Development of a phospholipidosis database and predictive quantitative structure-activity relationship (QSAR) models.

Toxicol. Mech. Methods 18 , 217-27, (2008)

ABSTRACT Drug-induced phospholipidosis (PL) is a condition characterized by the accumulation of phospholipids and drug in lysosomes, and is found in a variety of tissue types. PL is frequently manifes...

Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.

Drug Metab. Dispos. 36 , 1385-405, (2008)

We present herein a compilation and trend analysis of human i.v. pharmacokinetic data on 670 drugs representing, to our knowledge, the largest publicly available set of human clinical pharmacokinetic ...

Synonyms

EINECS 207-526-1

Neutraphylline

COR-theophylline

Neutrafil

Teofen

Circain

Dyflex

Neostenovasan

Propyphyllin

Circair

7-(2,3-Dihydroxypropyl)-1,3-dimethylxanthine

7-(2,3-Dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Theophylline, 7- (2,3-dihydroxypropyl)-

Coronal

dilor

Hyphylline

tesfen

Diphylline

Airet

(1,2-Dihydroxy-3-propyl)theophylline

Lufyllin

Solufilin

Solufyllin

diprophylline

Asthmolysin

7-(2,3-Dihydroxypropyl)theophylline,Dyphylline

7-(β,γ-Dihydroxypropyl)theophylline

MFCD00005759

Neufil

Coronarin

Theal

Aristophyllin

Thefylan

Dyphylline

Astmamasit

7-(b,g-Dihydroxypropyl)theophylline

7-(2,3-Dihydroxypropyl)theophylline

1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-

7-(2,3-dihydroxyprop-1-yl)theophylline

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