88310
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
Recommended Products
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)
Signal Word
Warning
Hazard Statements
Precautionary 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
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:
Gas-liquid chromatographic determination of acephylline in urine.
J Zuidema et al.
Journal of chromatography, 182(3-4), 445-447 (1980-06-13)
G Dănilă et al.
Revista medico-chirurgicala a Societatii de Medici si Naturalisti din Iasi, 94(3-4), 581-586 (1990-10-01)
Some esters of 7-theophyllinylacetic acid were synthetized, characterized physicochemically and tested for their anti-inflammatory properties. As compared to indomethacin, reference anti-inflammatory drug, all synthetized compounds were less toxic. The anti-inflammatory properties are influenced by the nature of the ester group
T Ooya et al.
Journal of controlled release : official journal of the Controlled Release Society, 58(3), 251-269 (1999-04-01)
Theophylline-polyrotaxane conjugates were synthesized by coupling theophylline with alpha-cyclodextrins (alpha-CDs) in the polyrotaxane. The polyrotaxane is a molecular assembly in which many alpha-CDs are threaded onto a poly(ethylene glycol) (PEG) chain capped with L-phenylalanine (L-Phe). Theophylline-7-acetic acid was activated by
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