Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00230)
Name
Enasidenib
Synonyms    Click to Show/Hide the Synonyms of This API
Enasidenib; 1446502-11-9; AG-221; CC-90007 Free Base; IDHIFA; AG-221 (Enasidenib); Enasidenib (AG-221); UNII-3T1SS4E7AG; AG 221; CC-90007; 3T1SS4E7AG; 2-methyl-1-((4-(6-(trifluoromethyl)pyridin-2-yl)-6-((2-(trifluoromethyl)pyridin-4-yl)amino)-1,3,5-triazin-2-yl)amino)propan-2-ol; 1446502-11-9 (free base); 2-Methyl-1-(4-(6-(trifluoromethyl)pyridin-2-yl)-6-(2-(trifluoromethyl)pyridin-4-ylamino)-1,3,5-triazin-2-ylamino)propan-2-ol; 2-Methyl-1-[(4-[6-(Trifluoromethyl)pyridin-2-Yl]-6-{[2-(Trifluoromethyl)pyridin-4-Yl]amino}-1,3,5-Triazin-2-Yl)amino]propan-2-Ol; 2-methyl-1-[[4-[6-(trifluoromethyl)pyridin-2-yl]-6-[[2-(trifluoromethyl)pyridin-4-yl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol; 2-Propanol, 2-methyl-1-((4-(6-(trifluoromethyl)-2-pyridinyl)-6-((2-(trifluoromethyl)-4-pyridinyl)amino)-1,3,5-triazin-2-yl)amino)-; 2-Propanol, 2-methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-; Enasidenib [INN]; enasidenibum; 2-methyl-1-({4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl}amino)propan-2-ol; AG-221(Enasidenib); AG-221; Enasidenib; Enasidenib; AG-221; Enasidenib (USAN/INN); Enasidenib [USAN:INN]; GTPL8960; CHEMBL3989908; SCHEMBL15102202; EX-A654; CHEBI:145374; HMS3873D03; BCP16041; BDBM50503251; MFCD29472245; NSC788120; AKOS026750439; ZINC222731806; CCG-269476; CS-5017; DB13874; NSC-788120; SB19193; NCGC00479249-03; NCGC00479249-05; AC-31318; AK431837; AS-75164; HY-18690; FT-0700204; D10901; J-690181; Q27077182; AG-221; AG 221; AG221; CC-90007; CC 90007; CC90007
Clinical Status
Approved
Disease Indication Acute myeloid leukemia ICD-11: 2A60 [1]
PubChem CID
89683805
Formula
C19H17F6N7O
Canonical SMILES
CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)O
InChI
1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)
InChIKey
DYLUUSLLRIQKOE-UHFFFAOYSA-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=89683805"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 473.4 Topological Polar Surface Area 109
XlogP 3.5 Complexity 635
Heavy Atom Count 33 Rotatable Bond Count 6
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 14
Full List of Drug Formulations (DFMs) Containing This API
          Enasidenib 100 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
Sodium lauryl sulfate; Magnesium stearate; Ferric oxide yellow; Talc; Titanium dioxide; Polyvinyl alcohol; Silicon dioxide; Hydroxypropyl cellulose, unspecified; Hypromellose acetate succinate 06081224 (3 mm2/s); Microcrystalline cellulose; Polyethylene glycol; Sodium starch glycolate type a potato
                   Dosage Form Oral Tablet
                   Company Celgene Corporation
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Sodium lauryl sulfate DIG Info Solute carrier SLCO2B1 (Ki = 1.98 uM) [2]
Polyvinyl alcohol DIG Info Debrisoquine 4-hydroxylase (EC50 = 354.8 uM) [3]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
Silicon dioxide DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
          Enasidenib 50 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
Sodium lauryl sulfate; Magnesium stearate; Ferric oxide yellow; Talc; Titanium dioxide; Polyvinyl alcohol; Silicon dioxide; Hydroxypropyl cellulose, unspecified; Hypromellose acetate succinate 06081224 (3 mm2/s); Microcrystalline cellulose; Polyethylene glycol; Sodium starch glycolate type a potato
                   Dosage Form Oral Tablet
                   Company Celgene Corporation
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Sodium lauryl sulfate DIG Info Solute carrier SLCO2B1 (Ki = 1.98 uM) [2]
Polyvinyl alcohol DIG Info Debrisoquine 4-hydroxylase (EC50 = 354.8 uM) [3]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
Silicon dioxide DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
          Enasidenib Mesylate 100 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
Colloidal Silicon Dioxide; Hydroxypropyl Cellulose; Hypromellose Acetate Succinate; Iron Oxide Yellow; Magnesium Stearate; Microcrystalline Cellulose; Polyethylene Glycol; Polyvinyl Alcohol; Sodium Lauryl Sulfate; Sodium Starch Glycolate; Talc; Titanium Dioxide
                   Dosage Form Tablet
                   Company Celgene Corporation
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Sodium lauryl sulfate DIG Info Solute carrier SLCO2B1 (Ki = 1.98 uM) [2]
Hydroxypropyl cellulose DIG Info Mephenytoin 4-hydroxylase (EC50 = 89.5 uM) [3]
Polyvinyl alcohol DIG Info Debrisoquine 4-hydroxylase (EC50 = 354.8 uM) [3]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
Polyethylene glycol 4000 DIG Info Albendazole monooxygenase (Inhibition ratio < 40 %) [5]
          Enasidenib Mesylate 50 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
Colloidal Silicon Dioxide; Hydroxypropyl Cellulose; Hypromellose Acetate Succinate; Iron Oxide Yellow; Magnesium Stearate; Microcrystalline Cellulose; Polyethylene Glycol; Polyvinyl Alcohol; Sodium Lauryl Sulfate; Sodium Starch Glycolate; Talc; Titanium Dioxide
                   Dosage Form Tablet
                   Company Celgene Corporation
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Sodium lauryl sulfate DIG Info Solute carrier SLCO2B1 (Ki = 1.98 uM) [2]
Hydroxypropyl cellulose DIG Info Mephenytoin 4-hydroxylase (EC50 = 89.5 uM) [3]
Polyvinyl alcohol DIG Info Debrisoquine 4-hydroxylase (EC50 = 354.8 uM) [3]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
Polyethylene glycol 4000 DIG Info Albendazole monooxygenase (Inhibition ratio < 40 %) [5]
References
1 FDA label for approved enasidenib from the official website of the U.S. Food and Drug Administration.
2 Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives. Proc Natl Acad Sci U S A. 2020 Jul 7;117(27):16009-16018.
3 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
4 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.
5 Pharmaceutical excipients inhibit cytochrome P450 activity in cell free systems and after systemic administration. Eur J Pharm Biopharm. 2008 Sep;70(1):279-88.

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