Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00968)
Name
Crisaborole
Synonyms    Click to Show/Hide the Synonyms of This API
Crisaborole; 906673-24-3; AN-2728; AN2728; 4-((1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl)oxy)benzonitrile; Eucrisa; AN 2728; 5-(4-cyanophenoxy)-2,3-dihydro-1-hydroxy-2,1-benzoxaborole; UNII-Q2R47HGR7P; Crisaborole topical ointment 2%; Q2R47HGR7P; CHEMBL484785; 4-((1-HYDROXY-1,3-DIHYDROBENZO-[C][1,2]OXABOROL-5-YL)OXY)BENZONITRILE; MFCD17169940; 4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzonitrile; 4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yloxy)benzonitrile; 4-[(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-5-yl)oxy]benzonitrile; 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzonitrile; Staquis; 4-[(1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl)oxy]benzonitrile; Benzonitrile, 4-((1,3-dihydro-1-hydroxy-2,1-benzoxaborol-5-yl)oxy)-; Benzonitrile, 4-[(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-5-yl)oxy]-; Eucrisa (TN); Crisaborole (USAN/INN); Crisaborole [USAN:INN]; Crisaborole(AN-2728); SCHEMBL595261; C14H10BNO3; GTPL9151; Crisaborole, >=98% (HPLC); DTXSID10238231; TQP0866; CHEBI:134677; BCP08677; EX-A1087; 5098AC; ABP001114; ANW-65536; BDBM50277665; AKOS016005425; ZINC169748244; CCG-266972; CS-1057; DB05219; SB16802; compound 5b [PMID: 19303290]; NCGC00345792-01; NCGC00345792-02; NCGC00345792-04; AC-30331; AK102641; AS-70551; HY-10978; SY113089; DB-078771; FT-0767999; S5014; D10873; W-5676; 5-(4-cyanophenoxy)-1-hydroxy-2,1-benzoxaborole; Q21098894; 1073669-75-6
Clinical Status
Approved
PubChem CID
44591583
Formula
C14H10BNO3
Canonical SMILES
B1(C2=C(CO1)C=C(C=C2)OC3=CC=C(C=C3)C#N)O
InChI
1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
InChIKey
USZAGAREISWJDP-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=44591583"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 251.05 Topological Polar Surface Area 62.5
XlogP N.A. Complexity 361
Heavy Atom Count 19 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Full List of Drug Formulations (DFMs) Containing This API
          Crisaborole 2% ointment 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
Petrolatum; Propylene Glycol; Glyceryl Monostearate; Paraffin; Butylated Hydroxytoluene; Edetate Calcium Disodium
                   Dosage Form Ointment
                   Company Pfizer Laboratories Div Pfizer ; PharmaciaUpjohn
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Butylated hydroxytoluene DIG Info Carbonic anhydrase II (Ki = 630 nM) [1]
Glyceryl monostearate DIG Info Prostate cancer LNCaP cells (IC50 > 100000 nM) [2]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [3]
             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
White Petrolatum; Propylene Glycol; Mono- And Di-Glycerides; Paraffin; Butylated Hydroxytoluene; Edetate Calcium Disodium
                   Dosage Form Ointment
                   Company Pfizer Laboratories Div Pfizer
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Butylated hydroxytoluene DIG Info Carbonic anhydrase II (Ki = 630 nM) [1]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [3]
References
1 Carbonic anhydrase inhibitors. Inhibition of human erythrocyte isozymes I and II with a series of antioxidant phenols. Bioorg Med Chem. 2009 Apr 15; 17(8):3207-11.
2 Lignanamides and nonalkaloidal components of Hyoscyamus niger seeds. J Nat Prod. 2002 Feb; 65(2):206-9.
3 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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