Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01440)
Name
Stiripentol
Synonyms    Click to Show/Hide the Synonyms of This API
STIRIPENTOL; Diacomit; 49763-96-4; BCX 2600; BCX-2600; 1-(Benzo[d][1,3]dioxol-5-yl)-4,4-dimethylpent-1-en-3-ol; MFCD00869310; 1-(1,3-Benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-ol; 4,4-Dimethyl-1-((3,4-methylenedioxy)phenyl)-1-penten-3-ol; NCGC00185769-01; 1-Penten-3-ol, 4,4-dimethyl-1-(3,4-methylenedioxyphenyl)-; 1-Penten-3-ol, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-; 137767-55-6; Estiripentol; Stiripentolum; 4,4-Dimethyl-1-[(3,4-methylenedioxy)phenyl]-1-penten-3-ol; (E)-1-(Benzo[d][1,3]dioxol-5-yl)-4,4-dimethylpent-1-en-3-ol; Stiripentol [USAN:INN]; Stiripentolum [INN-Latin]; Estiripentol [INN-Spanish]; 4,4-Dimethyl-1-(3,4-methylenedioxyphenyl)-1-penten-3-ol; SMR000449279; EINECS 256-480-9; BRN 1313047; Diacomit (TN); ME-2080; CPD000449279; DSSTox_CID_28994; DSSTox_RID_83259; DSSTox_GSID_49068; 5-19-02-00640 (Beilstein Handbook Reference); MLS000758313; MLS001424144; SCHEMBL216436; Stiripentol (JAN/USAN/INN); GTPL5469; SCHEMBL2533815; 1-(1,3-Benzodioxol-5yl)-4,4-dimethyl-1-penten-3-ol; CHEMBL1983350; DTXSID6049068; CHEBI:94435; Stiripentol, >=98% (HPLC); EBD2763; 4,4-dimethyl-1-[3,4(methylenedioxy)-phenyl]-1-penten-3-ol; HMS2052K07; HMS2232P06; HMS3886M17; 1185239-64-8; BCP10434; Tox21_113622; (1E)-1-(2H-1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-ol; 8269AH; BDBM50504273; s5266; AKOS025149123; AKOS027255159; CCG-101092; CCG-266819; CS-7801; DB09118; NC00342; NCGC00185769-02; BS-16863; CAS-49763-96-4; HY-103392; D05928; BCX2600; BCX-2600; BCX 2600; 763S964; Q412182; (E)-1-(3,4-Methylenedioxyphenyl)-4,4-dimethyl-1-penten-3-ol
Clinical Status
Approved
PubChem CID
5311454
Formula
C14H18O3
Canonical SMILES
CC(C)(C)C(/C=C/C1=CC2=C(C=C1)OCO2)O
InChI
1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3/b7-5+
InChIKey
IBLNKMRFIPWSOY-FNORWQNLSA-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=5311454"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 234.29 Topological Polar Surface Area 38.7
XlogP 3.6 Complexity 280
Heavy Atom Count 17 Rotatable Bond Count 3
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Full List of Drug Formulations (DFMs) Containing This API
          Stiripentol 250 mg powder 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
Aspartame; Carmellose Sodium; Erythrosine; Glucose; Hydroxyethylcellulose; Povidone; Sodium Starch Glycolate; Sorbitol; Titanium Dioxide; Acacia; Bergamot Oil; Hypromellose; Maltodextrin; Sorbitol; Vanillin
                   Dosage Form Powder
                   Company Biocodex
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Vanillin DIG Info Aldehyde dehydrogenase 5A1 (IC50 = 15600 nM) [1]
Aspartame DIG Info Pregnane X receptor (Ki = 13 uM) [2]
Erythrosine sodium anhydrous DIG Info Multidrug resistance protein 3 (IC50 = 133000 nM) [3]
Hypromellose DIG Info Cytochrome P450 3A5 (IC50 = 19.4 uM) [4]
Povidone DIG Info Cholesterol 25-hydroxylase (IC50 = 78.3 uM) [4]
Dextrin DIG Info Colon cancer Caco-2 cells (Inhibition ratio > 55 %) [5]
Carmellose sodium DIG Info Albendazole monooxygenase (Protein expression upregulation) [6]
          Stiripentol 500 mg powder 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
Aspartame; Carmellose Sodium; Erythrosine; Glucose; Hydroxyethylcellulose; Povidone; Sodium Starch Glycolate; Sorbitol; Titanium Dioxide; Acacia; Bergamot Oil; Hypromellose; Maltodextrin; Sorbitol; Vanillin
                   Dosage Form Powder
                   Company Biocodex
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Vanillin DIG Info Aldehyde dehydrogenase 5A1 (IC50 = 15600 nM) [1]
Aspartame DIG Info Pregnane X receptor (Ki = 13 uM) [2]
Erythrosine sodium anhydrous DIG Info Multidrug resistance protein 3 (IC50 = 133000 nM) [3]
Hypromellose DIG Info Cytochrome P450 3A5 (IC50 = 19.4 uM) [4]
Povidone DIG Info Cholesterol 25-hydroxylase (IC50 = 78.3 uM) [4]
Dextrin DIG Info Colon cancer Caco-2 cells (Inhibition ratio > 55 %) [5]
Carmellose sodium DIG Info Albendazole monooxygenase (Protein expression upregulation) [6]
          Stiripentol 250 mg capsule 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
Erythrosine; Gelatin; Indigotine; Magnesium Stearate; Povidone; Sodium Starch Glycolate; Titanium Dioxide
                   Dosage Form Capsule
                   Company Biocodex
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
FD&C blue no. 2 DIG Info Adenosine receptor A3 (IC50 = 1 uM) [2]
Erythrosine sodium anhydrous DIG Info Multidrug resistance protein 3 (IC50 = 133000 nM) [3]
Gelatin DIG Info Mephenytoin 4-hydroxylase (EC50 = 20.5 uM) [4]
Povidone DIG Info Cholesterol 25-hydroxylase (IC50 = 78.3 uM) [4]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [6]
          Stiripentol 500 mg capsule 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
Gelatin; Magnesium Stearate; Povidone; Sodium Starch Glycolate; Titanium Dioxide
                   Dosage Form Capsule
                   Company Biocodex
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Gelatin DIG Info Mephenytoin 4-hydroxylase (EC50 = 20.5 uM) [4]
Povidone DIG Info Cholesterol 25-hydroxylase (IC50 = 78.3 uM) [4]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [6]
References
1 Inhibition of GABA shunt enzymes' activity by 4-hydroxybenzaldehyde derivatives. Bioorg Med Chem Lett. 2006 Feb; 16(3):592-5.
2 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
3 A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development. Toxicol Sci. 2013 Nov; 136(1):216-41.
4 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
5 Interactions between human multidrug resistance related protein (MRP2; ABCC2) and excipients commonly used in self-emulsifying drug delivery systems (SEDDS). Int J Pharm. 2013 Apr 15;447(1-2):192-8.
6 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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