Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01069)
Name
Fedratinib
Synonyms    Click to Show/Hide the Synonyms of This API
Fedratinib; 936091-26-8; Tg-101348; TG101348; SAR302503; TG 101348; N-(tert-butyl)-3-((5-methyl-2-((4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)amino)pyrimidin-4-yl)amino)benzenesulfonamide; SAR-302503; Fedratinib (SAR302503, TG101348); UNII-6L1XP550I6; TG101348 (SAR302503); N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide; SAR 302503; N-tert-butyl-3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide; CHEMBL1287853; C27H36N6O3S; 6L1XP550I6; 936091-26-8 (free base); N-tert-butyl-3-(5-methyl-2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenylamino)pyrimidin-4-ylamino)benzenesulfonamide; N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide; Inrebic; Fedratinib [USAN:INN]; 2TA; Fedratinib (USAN/INN); Fedratinib TG101348; cc-67; TG101348(Fedratinib); MLS006011155; SCHEMBL263741; GTPL5716; CHEBI:91408; AOB2041; DTXSID90239483; EX-A170; SYN1104; HMS3295I03; HMS3656L19; HMS3744G17; HMS3868L03; BCP02300; ABP000705; BDBM50332294; MFCD12922515; NSC767600; NSC800099; s2736; ZINC19862646; AKOS015842621; CCG-264990; CS-0052; DB12500; EX-5961; NSC-767600; NSC-800099; SB14604; NCGC00244252-01; NCGC00244252-07; AC-30260; AK-50248; AS-16248; Benzenesulfonamide, N-(1,1-dimethylethyl)-3-((5-methyl-2-((4-(2-(1-pyrrolidinyl)ethoxy)phenyl)amino)-4-pyrimidinyl)amino)-; DA-40258; HY-10409; N-Tert-butyl-3-(5-methyl-2-(4-(2-pyrrolidin-1-yl-ethoxy)-phenylamino)-pyrimidin-4-ylamino)-benzenesulfonamide; SMR004702929; DB-079623; FT-0705969; FT-0763396; FT-0766818; SW218187-2; Y0268; A25534; D10630; W-5547; SAR302503 (TG-101348); TG101348/TG-101348/; 091D268; J-523769; Q7670147; BRD-K12502280-001-01-5; 945381-69-1; Fedratinib; ; ; N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]amino]-4-pyrimidinyl]amino]-benzenesulfonamide; N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzene-1-sulfonamide
Clinical Status
Approved
PubChem CID
16722836
Formula
C27H36N6O3S
Canonical SMILES
CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4
InChI
1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)
InChIKey
JOOXLOJCABQBSG-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=16722836"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 524.7 Topological Polar Surface Area 117
XlogP 4.8 Complexity 787
Heavy Atom Count 37 Rotatable Bond Count 11
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 9
Full List of Drug Formulations (DFMs) Containing This API
          Fedratinib 100 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
Silicified Microcrystalline Cellulose; Sodium Stearyl Fumarate; Gelatin; Red Iron Oxide; Titanium Dioxide; White Ink
                   Dosage Form Capsule
                   Company Celgene Corporation
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Sodium stearyl fumarate DIG Info Leukemia K562 cells (IC50 = 20.2 ug.mL-1) [1]
Gelatin DIG Info Mephenytoin 4-hydroxylase (EC50 = 20.5 uM) [2]
References
1 Synthesis and evaluation of (-)-Massoialactone and analogues as potential anticancer and anti-inflammatory agents. Eur J Med Chem. 2014 Apr 9; 76:291-300.
2 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.

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