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Theophylline structure, CAS 58-55-9

Theophylline

CAS Number58-55-9

SynonymsXanthium; LABID; Elixex; Theotard; duraphy; MFCD00079619; Theolair; Slo-PhyllinTM; Theoclear; Teonova; Theon; Egifilin; X 115; Cetraphylline; Duraphyllin; Adisne; Theobid; Teosona; 1,3-Dimethylxanthine; Theophylline; 1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione; Etheophyl; Euphylong; austyn; Diffumal; Nuelin; Talotren; Theodel; Solosin; Elixophyllin

Molecular FormulaC7H8N4O2

Molecular Weight180.16

Purity99%

Density1.5±0.1 g/cm3

Boiling Point454.1±37.0 °C at 760 mmHg

Melting Point271-273 °C

Flash Point

Appearancepowder

EINECS200-385-7

MSDSChineseEnglish

Symbol6.1(b)

Signal WordWarning

Cat. No.: 2A-9008827 Purity: 99%
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Quality Control of [ 58-55-9 ] Purity: 99% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number58-55-9
Catalog No.2A-9008827
Chinese Name茶碱
SynonymsXanthium; LABID; Elixex; Theotard; duraphy; MFCD00079619; Theolair; Slo-PhyllinTM; Theoclear; Teonova; Theon; Egifilin; X 115; Cetraphylline; Duraphyllin; Adisne; Theobid; Teosona; 1,3-Dimethylxanthine; Theophylline; 1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione; Etheophyl; Euphylong; austyn; Diffumal; Nuelin; Talotren; Theodel; Solosin; Elixophyllin
Molecular FormulaC7H8N4O2
Molecular Weight180.16
Purity99
Density1.5±0.1 g/cm3
Boiling Point454.1±37.0 °C at 760 mmHg
Melting Point271-273 °C
Appearancepowder
Water Solubility8.3 g/L (20 ºC)
Storage ConditionThis product should be sealed and stored in a cool
PackagingIII
ApplicationTheophylline is a non-selective phosphodiesterase (PDE) inhibitor, adenosine receptor blocker, and histone deacetylase (HDAC) activator.
EINECS200-385-7
HTC2939590000
UN(IATA)UN 2811
MDL NumberMFCD00079619
SMILESCN1C(=O)N(C)c2[nH]cnc2C1=O
InChI1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
InChI KeyZFXYFBGIUFBOJW-UHFFFAOYSA-N
Beilstein/REAXYS13463
NACRES CodeNA.24
UNSPSC12352210
Hazard Symbols6.1(b)
Risk CodesR22
MSDSmsds/8827_1_58_55_9.pdf
BioactivityTheophylline is a nonselective phosphodiesterase (PDE) inhibitor, adenosine receptor blocker, and histone deacetylase (HDAC) activator. Related Catalog Signaling Pathways >> GPCR/G Protein >> Adenosine Receptor Signaling Pathways >> Autophagy >> Autophagy Signaling Pathways >> Metabolic Enzyme/Protease >> Phosphodiesterase (PDE) Natural Products >> Alkaloid Research Areas >> Others Target Human Endogenous Metabolite References [1]. Deree J, et al. Insights into the regulation of TNF-alpha production in human mononuclear cells: the effects of non-specific phosphodiesterase inhibition. Clinics (Sao Paulo). 2008 Jun;63(3):321-8. [2]. Marques LJ, et al. Pentoxifylline inhibits TNF-alpha production from human alveolar macrophages. Am J Respir Crit Care Med. 1999 Feb;159(2):508-11. [3]. Daly JW, et al. Adenosine receptors: development of selective agonists and antagonists. Prog Clin Biol Res. 1987;230:41-63. Chemical & Physical Properties Density 1.5±0.1 g/cm3 Boiling Point 454.1±37.0 °C at 760 mmHg Melting Point 271-273 °C Molecular Formula C7H8N4O2 Molecular Weight 180.164 Flash Point 228.4±26.5 °C Exact Mass 180.064728 PSA 72.68000 LogP -0.17 Vapour Pressure 0.0±1.1 mmHg at 25°C Index of Refraction 1.620 InChIKey ZFXYFBGIUFBOJW-UHFFFAOYSA-N SMILES Cn1c(=O)c2[nH]cnc2n(C)c1=O Storage condition 2-8°C Stability Stable. Incompatible with strong oxidizing agents. Water Solubility 8.3 g/L (20 ºC)
Use ofTheophylline is a nonselective phosphodiesterase (PDE) inhibitor, adenosine receptor blocker, and histone deacetylase (HDAC) activator. Properties Articles204 Name theophylline Synonym More Synonyms Theophylline Biological Activity Description Theophylline is a nonselective phosphodiesterase (PDE) inhibitor, adenosine receptor blocker, and histone deacetylase (HDAC) activator. Related Catalog Signaling Pathways >> GPCR/G Protein >> Adenosine Receptor Signaling Pathways >> Autophagy >> Autophagy Signaling Pathways >> Metabolic Enzyme/Protease >> Phosphodiesterase (PDE) Natural Products >> Alkaloid Research Areas >> Others Human Endogenous Metabolite References [1]. Deree J, et al. Insights into the regulation of TNF-alpha production in human mononuclear cells: the effects of non-specific phosphodiesterase inhibition. Clinics (Sao Paulo). 2008 Jun;63(3):321-8. [2]. Marques LJ, et al. Pentoxifylline inhibits TNF-alpha production from human alveolar macrophages. Am J Respir Crit Care Med. 1999 Feb;159(2):508-11. [3]. Daly JW, et al. Adenosine receptors: development of selective agonists and antagonists. Prog Clin Biol Res. 1987;230:41-63. Chemical & Physical Properties Molecular Formula C7H8N4O2 Exact Mass 180.064728 PSA 72.68000 LogP -0.17 Index of Refraction 1.620 InChIKey ZFXYFBGIUFBOJW-UHFFFAOYSA-N Stability Stable. Incompatible with strong oxidizing agents.
Transport InfoProduct name: Theophylline
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