Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01185)
Name
Istradefylline
Synonyms    Click to Show/Hide the Synonyms of This API
Istradefylline; 155270-99-8; KW-6002; Istradefylline (KW-6002); KW 6002; 8-[(E)-2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6 -dione; (E)-8-(3,4-Dimethoxystyryl)-1,3-diethyl-7-methyl-1H-purine-2,6(3H,7H)-dione; UNII-2GZ0LIK7T4; 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione; (E)-8-(3,4-Dimethoxystyryl)-1,3-diethyl-7-methylxanthine; 2GZ0LIK7T4; CHEMBL431770; 8-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione; Istradefyline; Nourianz; Istradefylline (JAN/USAN/INN); Istradefylline [USAN:INN:JAN]; NCGC00253737-01; Nourianz (TN); Nouriast (TN); KW6002; Istradefylline KW 6002; (E)-8-(3,4-Dimethoxystyryl)-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione; DSSTox_CID_31441; DSSTox_RID_97327; DSSTox_GSID_57652; 8-((1E)-2-(3,4-Dimethoxyphenyl)ethenyl)-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione; cc-324; MLS006010633; SCHEMBL633262; SCHEMBL633263; GTPL5608; DTXSID7057652; AOB2515; CHEBI:134726; HMS3884P16; Istradefylline, >=98% (HPLC); BCP02194; ZINC3803921; Tox21_113855; BDBM50176050; EBD235277; MFCD00928421; s2790; AKOS015966268; AM84508; BCP9000824; CCG-268457; CS-0737; DB11757; MP-2039; SB18985; VA11117; 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3,4-dimethoxyphenyl)ethenyl)-7-methyl-, (E)-; AC-30957; HY-10888; LS-14789; SMR004701638; AB0069237; CAS-155270-99-8; SW220139-1; Z4210; D04641; KW 6002;KW-6002;KW6002; 270I998; L001483; Q905783; SR-01000945278; J-009183; J-519355; SR-01000945278-1; BRD-K40096621-001-01-2; 1,3-Diethyl-7-methyl-8-(3,4-dimethoxystyryl)xanthine; (E)- 8-(3,4-Dimethoxystyryl)-1,3-diethyl-7-methylxanthine; 8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-purine-2,6(3H,7H)-dione; 8-[2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,7-dihydro-purine-2,6-dione; 8-[2-(3,4-dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,9-dihydro-purine-2,6-dione; 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3,4-dimethoxyphenyl)ethenyl)-7-methyl-,(E)-; 1H-Purine-2,6-dione,8-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-3,7-dihydro-7-methyl-; 8-[(1E)-2-(2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-diethyl-3,7-dihydro-7-methyl-1H-purine-2,6-dione; 8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,7-dihydro-purine-2,6-dione
Clinical Status
Approved
PubChem CID
5311037
Formula
C20H24N4O4
Canonical SMILES
CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=CC(=C(C=C3)OC)OC)C
InChI
1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+
InChIKey
IQVRBWUUXZMOPW-PKNBQFBNSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=5311037"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 384.4 Topological Polar Surface Area 76.9
XlogP 2.5 Complexity 613
Heavy Atom Count 28 Rotatable Bond Count 6
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5
Full List of Drug Formulations (DFMs) Containing This API
          Istradefylline 20 mg tablet Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Crospovidone; Lactose Monohydrate; Magnesium Stearate; Microcrystalline Cellulose; Polyvinyl Alcohol; Hypromellose; Polyethylene Glycol 3350; Titanium Dioxide; Triacetin; Iron Oxide Red; Iron Oxide Yellow; Carnauba Wax
                   Dosage Form Tablet
                   Company Kyowa Kirin
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Hypromellose DIG Info Cytochrome P450 3A5 (IC50 = 19.4 uM) [1]
Polyvinyl alcohol DIG Info Debrisoquine 4-hydroxylase (EC50 = 354.8 uM) [1]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [2]
Crospovidone DIG Info Albendazole monooxygenase (Protein expression downregulation) [2]
Polyethylene glycol 3350 DIG Info Albendazole monooxygenase (Protein expression upregulation) [2]
References
1 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
2 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.

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