Natural Product (NP) Details

General Information of the NP (ID: NP0706)
Name
Theophylline
Synonyms
theophylline; 58-55-9; 1,3-Dimethylxanthine; Elixophyllin; Theophyllin; Theolair; Nuelin; Theophylline anhydrous; Respbid; Theocin; Theo-dur; Elixophylline; Pseudotheophylline; Lanophyllin; Theovent; Uniphyl; Slo-phyllin; Accurbron; Armophylline; Bronkodyl; Doraphyllin; Liquophylline; Maphylline; Medaphyllin; Optiphyllin; Parkophyllin; Synophylate; Teofyllamin; Theacitin; Theocontin; Uniphyllin; Xantivent; Aerolate; Elixicon; Solosin; Teolair; Theobid; Theofol; Theograd; Theolix; Elixex; Acet-theocin; Slo-bid; Theophyl-225; Aerolate III; Duraphyl; Euphylong; Sustaire; Xanthium; Austyn; Somophyllin-t; Constant-T; Teofilina; Theochron; Asmax; Quibron T/SR; Theal tablets; Somophyllin-DF; Bronkodyl SR; Theoclair-SR; Theoclear LA; Spophyllin retard; Choledyl SA; Quibron-T; 1,3-dimethyl-7H-purine-2,6-dione; Theoclear 80; Theophyline; Theo-11; Theostat 80; 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione; Synophylate-L.A. Cenules; Theophylline, anhydrous; Theo-Dur-Sprinkle; Aquaphyllin; Tefamin; Theo-24; Theodel; Unifyl; Theona P; 1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione; LaBID; Euphylline; Elixomin; Theolixir; Theophyl; Bronkotabs; Elixophyllin SR; Theophylline-SR; Somophyllin-CRT; Aerolate SR; Theo-Organidin; Theolair-SR; Theophyl-SR; 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-; GS 2591A; Uni-Dur; Theoclear-80; Quibron-T/SR; T-Phyl; Theoclear-200; Xanthine, 1,3-dimethyl-; Dimethylxanthine; NSC 2066; X 115; Quadrinal; Theobid Jr.; Theoclear L.A.-130; Theal tabl.; 1,3-dimethyl-1H-purine-2,6(3H,7H)-dione; 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; UNII-0I55128JYK; 2,6-Dihydroxy-1,3-dimethylpurine; Purine-2,6(1H,3H)-dione, 1,3-dimethyl-; Aerobin; Theodur; Theopek; Theospan; CHEMBL190; Theophylline [USP]; 1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-; MLS000069390; 1,3-Dimethylxanthine;Theo-24; Diffumal; 1,3-dimethyl-1H-purine-2,6(3H,9H)-dione; CHEBI:28177; LASMA; 0I55128JYK; Pro-vent; Theophylline melting point standard; NSC-2066; 58-55-9 (ANHYDROUS); 1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine; MFCD00079619; Teofilina [Polish]; NCGC00018117-07; NCGC00018117-17; Mudrane; Pulmidur; SMR000058537; Teonova; Theokin; Hylate; DSSTox_CID_1336; Nuelin SA; Bronchodid Duracap; 1,3-dimethyl-1,3,7-trihydropurine-2,6-dione; DSSTox_RID_76090; Uniphyllin continus; DSSTox_GSID_21336; Theophylline, 99+%, anhydrous; Teocen 200; Elixophyllin(e); CAS-58-55-9; Theolair (TN); Elixophyllin (TN); Uniphyl (TN); Quibron-t (TN); Theodur G (TN); CCRIS 4729; HSDB 3399; 1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione; SR-01000075195; EINECS 200-385-7; Theo-24 (TN); Telbans; Physpa; AI3-50216; Unicontin CR; 4eoh; Aescin-IIA; Theophylline form II; PubChem9695; theophylline solu-tion; component of Primatene; Xanthine,3-dimethyl-; Opera_ID_76; Spectrum_001038; Theophylline (JP17); 2a3a; Prestwick0_000820; Prestwick0_000873; Prestwick1_000820; Prestwick1_000873; Prestwick2_000820; Prestwick2_000873; Prestwick3_000820; Prestwick3_000873; Spectrum2_000842; Spectrum3_000672; Spectrum4_000353; Spectrum5_001232; 8-(2-Furyl)theophylline; UPCMLD-DP123; component of Theo-Organidin; EC 200-385-7; SCHEMBL4915; Theophylline Anhydrous,(S); Theophylline Anhydrous, USP; Lopac0_000014; BSPBio_000719; BSPBio_000945; BSPBio_002363; component of Dicurin Procaine; GTPL413; KBioGR_000785; KBioSS_001518; MLS002152943; MLS002153487; MLS004491910; MLS006011970; ARONIS25346; BIDD:ER0557; BIDD:GT0151; DivK1c_000203; SPECTRUM1500568; Theophylline-d6(dimethyl-d6); SPBio_000823; SPBio_002640; SPBio_002866; BPBio1_000791; BPBio1_001041; SCHEMBL8312163; component of Tedral (Salt/Mix); DTXSID5021336; THEOPHYLLINE, [8-3H]; UPCMLD-DP123:001; BCBcMAP01_000071; BDBM10847; BDBM82053; component of Quibron (Salt/Mix); HMS500K05; KBio1_000203; KBio2_001518; KBio2_004086; KBio2_006654; KBio3_001583; NSC2066; component of Hecadrol (Salt/Mix); NINDS_000203; HMS1921E03; HMS2089A06; HMS2092M05; HMS2233E16; HMS3259O06; HMS3369N14; Pharmakon1600-01500568; component of Primatene (Salt/Mix); BCP30664; component of Bronkotabs (Salt/Mix); HY-B0809; Theophylline 1.0 mg/ml in Methanol; Theophylline, >=99.0% (HPLC); Tox21_110827; Tox21_202375; Tox21_300028; BBL023514; CCG-20301; NSC757346; PDSP1_001018; PDSP1_001234; PDSP2_001002; PDSP2_001218; STK397040; Theophylline (1,3-dimethylxanthine); ZINC18043251; AKOS000120961; AKOS005434016; component of Quibron Plus (Salt/Mix); Tox21_110827_1; component of Quibron-T/SR (Salt/Mix); component of Theo-organdin (Salt/Mix); component of Theolair plus (Salt/Mix); CS-4158; DB00277; MCULE-8236489917; NC00542; NE11194; NSC-757346; Purine-2,3H)-dione, 1,3-dimethyl-; SDCCGMLS-0066620.P001; SDCCGSBI-0050003.P005; component of Theo-Organidin (Salt/Mix); IDI1_000203; SMP1_000291; component of Slo-phyllin GG (Salt/Mix); NCGC00018117-01; NCGC00018117-02; NCGC00018117-03; NCGC00018117-04; NCGC00018117-05; NCGC00018117-06; NCGC00018117-08; NCGC00018117-09; NCGC00018117-10; NCGC00018117-11; NCGC00018117-12; NCGC00018117-13; NCGC00018117-14; NCGC00018117-15; NCGC00018117-16; NCGC00018117-18; NCGC00018117-19; NCGC00018117-20; NCGC00018117-23; NCGC00018117-37; NCGC00022112-03; NCGC00022112-04; NCGC00022112-05; NCGC00022112-07; NCGC00022112-08; NCGC00022112-09; NCGC00022112-10; NCGC00022112-11; NCGC00022112-12; NCGC00254040-01; NCGC00259924-01; WLN: T56 BM DN FNVNVJ F1 H1; AC-20328; component of Dicurin Procaine (Salt/Mix); NCI60_001736; SMR003435989; ST024762; Theophylline, anhydrous, >=99%, powder; component of Primatene tablets (Salt/Mix); Purine,6(1H,3H)-dione, 1,3-dimethyl-; SBI-0050003.P004; component of Mudrane GG elixir (Salt/Mix); DB-053224; 1H-Purine-2, 3,7-dihydro-1,3-dimethyl-; AB00052106; FT-0631259; FT-0675140; N1442; 6461-EP1441224A2; 6461-EP2272835A1; 6461-EP2272841A1; 6461-EP2272844A1; 6461-EP2280006A1; 6461-EP2281813A1; 6461-EP2281815A1; 6461-EP2286811A1; 6461-EP2295434A2; 6461-EP2298305A1; 6461-EP2301933A1; 6461-EP2301936A1; 6461-EP2301937A1; 6461-EP2305219A1; 6461-EP2305640A2; 6461-EP2308562A2; 6461-EP2311827A1; 6461-EP2314590A1; C07130; D00371; 83377-EP2371823A1; AB00052106-20; AB00052106-22; AB00052106-23; AB00052106_24; AB00052106_25; AB00052106_26; L000595; Q407308; 1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione #; Q-201819; SR-01000075195-1; SR-01000075195-3; SR-01000075195-5; 1,3-Dimethyl-6-hydroxy-1,3-dihydro-2H-purin-2-one; BRD-K97799481-001-02-0; BRD-K97799481-001-12-9; BRD-K97799481-002-03-6; 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, mo; F2173-0145; Z271004650; A3133D49-AAB6-49A1-B60B-B5198F327D3F; Theophylline, British Pharmacopoeia (BP) Reference Standard; Theophylline, European Pharmacopoeia (EP) Reference Standard; (8alpha, 9S)-10,11-Dihydro-6'-methoxycinchonan-9-amine trihydrochloride, min. 90%; Theophylline melting point standard, United States Pharmacopeia (USP) Reference Standard; Theophylline solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; Theophylline, Pharmaceutical Secondary Standard; Certified Reference Material; 134459-03-3; 75448-53-2; Theo-24;1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione ;1,3-Dimethylxanthine;1,3-dimethyl-xanthin; Theophylline melting point standard, Pharmaceutical Secondary Standard; Certified Reference Material; Theophylline, certified reference material, United States Pharmacopeia (USP) Reference Standard
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Species Origin Camellia sinensis ...     Click to Show/Hide
Camellia sinensis
Kingdom: Viridiplantae
Phylum: Streptophyta
Class: Magnoliopsida
Order: Ericales
Family: Theaceae
Genus: Camellia
Species: Camellia sinensis
Disease Chronic obstructive pulmonary disease [ICD-11: CA22] Approved [1]
Structure
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2D MOL

3D MOL

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Formula
C7H8N4O2
PubChem CID
2153
Canonical SMILES
CN1C2=C(C(=O)N(C1=O)C)NC=N2
InChI
1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
InChIKey
ZFXYFBGIUFBOJW-UHFFFAOYSA-N
CAS Number
CAS 58-55-9
ChEBI ID
CHEBI:28177
Herb ID
HBIN046282
TTD Drug ID
D0F8RA
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP
          Methylprednisolone      Solid tumour/cancer     Click to Show/Hide the Molecular Data of This Drug
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    In-vivo Model Male Wistar Albino rats were used in this study.
                    Experimental
                    Result(s)		 Combined use of theophylline and methylprednisolone had positive effects on the contraction strength and the durations of contraction and semi-relaxation of the diaphragm muscle.
    β. A List of Drug(s) Whose Adverse Effect can be Decreased by This NP
          Salmeterol      Chronic obstructive pulmonary disease     Click to Show/Hide the Molecular Data of This Drug
                 Decreasing Adverse Drug Reaction     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [3]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    In-vivo Model Clinical trial
                    Experimental
                    Result(s)		 Patients with COPD may benefit from combination treatment with salmeterol plus theophylline, without a resulting increase in adverse events or other adverse sequelae.
Target and Pathway
Target(s) Adenosine receptor (ADOR)  Molecule Info  [4]
References
Reference 1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 413).
Reference 2 Effects of Theophylline with Methylprednisolone Combination Therapy on Biomechanics and Histopathology in Diaphragm Muscles of Rats. Inflammation. 2016 Oct;39(5):1635-41.
Reference 3 Salmeterol plus theophylline combination therapy in the treatment of COPD. Chest. 2001 Jun;119(6):1661-70.
Reference 4 Emerging adenosine receptor agonists. Expert Opin Emerg Drugs. 2007 Sep;12(3):479-92.
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