Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00077)
Name
Brigatinib
Synonyms    Click to Show/Hide the Synonyms of This API
Brigatinib; 1197953-54-0; ALUNBRIG; UNII-HYW8DB273J; HYW8DB273J; AP 26113; Brigatinib (AP-26113); (2-((5-chloro-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide; 5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine; 2,4-Pyrimidinediamine, 5-chloro-N4-(2-(dimethylphosphinyl)phenyl)-N2-(2-methoxy-4-(4-(4-methyl-1-piperazinyl)-1-piperidinyl)phenyl)-; 2,4-Pyrimidinediamine, 5-chloro-N4-[2-(dimethylphosphinyl)phenyl]-N2-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-; 5-Chloro-N~4~-[2-(Dimethylphosphoryl)phenyl]-N~2~-{2-Methoxy-4-[4-(4-Methylpiperazin-1-Yl)piperidin-1-Yl]phenyl}pyrimidine-2,4-Diamine; Brigatinib [USAN]; Brigatinib (AP26113); Brigatiib; Alunbrig (TN); 5-Chloro-N4-(2-(dimethylphosphoryl)phenyl)-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)pyrimidine-2,4-diamine; 5-chloro-N4-[2-(dimethylphosphoryl)phenyl]-N2-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine; Brigatinib (JAN/USAN); Brigatinib [USAN:INN]; Brigatinib; AP26113; CHEMBL3545311; SCHEMBL11916361; EX-A775; BCP17214; BDBM50185140; MFCD29472221; NSC784728; NSC787457; AKOS030257612; ZINC148723177; CS-4278; DB12267; NSC-784728; NSC-787457; SB40412; NCGC00483924-01; (2-((5-Chloro-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)phenyl)dimethyl-,delta5-phosphanone; 5-Chloro-N4-(2-(dimethylphosphoryl)phenyl)-N2-(2-methoxy-4-(4-(4-methylpiperazin-1- yl)piperidin-1-yl)phenyl)pyrimidine-2,4-diamine; 5-chloro-N4-[2-(dimethylphosphinyl)phenyl]-N2-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-2,4-Pyrimidinediamine; AC-29958; AK547077; AS-75176; HY-12857; DB-118419; FT-0700112; J3.535.964H; D10866; Q27456393
Clinical Status
Approved
Disease Indication Anaplastic large cell lymphoma ICD-11: 2A90 [1]
PubChem CID
68165256
Formula
C29H39ClN7O2P
Canonical SMILES
CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC
InChI
1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)
InChIKey
AILRADAXUVEEIR-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=68165256"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 584.1 Topological Polar Surface Area 85.9
XlogP 4.6 Complexity 835
Heavy Atom Count 40 Rotatable Bond Count 8
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 9
Full List of Drug Formulations (DFMs) Containing This API
          Brigatinib 180 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
Lactose monohydrate; Magnesium stearate; Silicon dioxide; Microcrystalline cellulose; Sodium starch glycolate type a potato
                   Dosage Form Oral Tablet
                   Company Millennium Pharmaceuticals
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [2]
Silicon dioxide DIG Info Albendazole monooxygenase (Protein expression downregulation) [2]
          Brigatinib 30 mg tablet Click to Show/Hide the Full List of Formulation(s):          2 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
Lactose monohydrate; Magnesium stearate; Silicon dioxide; Microcrystalline cellulose; Sodium starch glycolate type a potato
                   Dosage Form Oral Tablet
                   Company Millennium Pharmaceuticals
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [2]
Silicon dioxide DIG Info Albendazole monooxygenase (Protein expression downregulation) [2]
             Drug Formulation 2 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
Lactose monohydrate; Magnesium stearate; Water; Microcrystalline cellulose; Polyvinyl alcohol, unspecified; Silica dimethyl silylate; Sodium starch glycolate type a potato
                   Dosage Form Oral Tablet
                   Company ARIAD Pharmaceuticals
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [2]
          Brigatinib 90 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
Lactose monohydrate; Magnesium stearate; Silicon dioxide; Microcrystalline cellulose; Sodium starch glycolate type a potato
                   Dosage Form Oral Tablet
                   Company Millennium Pharmaceuticals
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [2]
Silicon dioxide DIG Info Albendazole monooxygenase (Protein expression downregulation) [2]
References
1 FDA label for approved brigatinib from the official website of the U.S. Food and Drug Administration.
2 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.