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88310

Sigma-Aldrich

Theophylline-7-acetic acid

≥99.0% (T)

Synonym(s):

1,3-Dimethylxanthine-7-acetic acid

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About This Item

Empirical Formula (Hill Notation):
C9H10N4O4
CAS Number:
Molecular Weight:
238.20
Beilstein:
279221
EC Number:
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.22

Assay

≥99.0% (T)

form

powder

SMILES string

CN1C(=O)N(C)c2ncn(CC(O)=O)c2C1=O

InChI

1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)

InChI key

HCYFGRCYSCXKNQ-UHFFFAOYSA-N

Gene Information

human ... ADORA2B(136)

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 2

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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C Ferretti et al.
International journal of tissue reactions, 14(1), 31-36 (1992-01-01)
It is assumed that theophylline (THEO) and its xanthinic derivatives inhibit lung phosphodiesterase (PDE) and block adenosine receptors in the induction of bronchodilatation. Since the theophyllinic compound ambroxol-theophylline-7-acetic acid (ATA) has been shown in vivo to be a sound bronchodilator
J G Ufkes et al.
Archives internationales de pharmacodynamie et de therapie, 253(2), 301-314 (1981-10-01)
A study has been made of the bronchospasmolytic actions of theophylline and some ot its N-7-substituted derivatives administered by i.v infusion in anaesthetized guinea pigs, in which experimental bronchial asthma was induced by i.v. administration of histamine, 5-hydroxytryptamine and bradykinin.
G Grosa et al.
Drug metabolism and disposition: the biological fate of chemicals, 14(2), 267-270 (1986-03-01)
The metabolic transformation of the bronchospasmolytic agent doxophylline (2-(7'-theophyllinemethyl)-1,3-dioxolane) was studied in vitro with phenobarbital-induced rat liver microsomal fraction containing the NADPH-generating system. Doxophylline was poorly metabolized as 95% of the recovered material was parent compound. The major metabolite resulted:
S Sved et al.
Biopharmaceutics & drug disposition, 2(2), 177-184 (1981-04-01)
A sensitive and specific method for the estimation of theophylline-7-acetic acid in plasma by high performance liquid chromatography is described. Acidified plasma is extracted with chloroform-n-butanol (85: 15), back extracted with phosphate buffer (0.5 mmol-1, pH 6.5), and finally the
[Amides of 7-theophyllineacetic acid with antiarrhythmic action].
M Eckstein et al.
Acta poloniae pharmaceutica, 44(1), 12-15 (1987-01-01)

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