Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01188)
Name
Ixabepilone
Synonyms    Click to Show/Hide the Synonyms of This API
Ixabepilone; 219989-84-1; Azaepothilone B; Ixempra; BMS-247550; Aza-epothilone B; BMS 247550-1; BMS 247550-01; UNII-K27005NP0A; CHEBI:63605; K27005NP0A; NSC747973; BMS-247550-01; BMS 247550; (1~{S},3~{S},7~{S},10~{R},11~{S},12~{S},16~{R})-8,8,10,12,16-pentamethyl-3-[(~{E})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione; (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-((Z)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione; Ixempra (TN); Ixempra kit; Ixempra (TM); 16-Aza-epothilone B; SCHEMBL8386; Ixabepilone (JAN/USAN/INN); Ixabepilone [USAN:INN:JAN]; GTPL6824; SCHEMBL1890345; Ixabepilone (BMS-247550); CHEMBL1201752; CHEBI:95095; HSDB 7738; DTXSID70870252; EX-A1245; ZINC3993846; MFCD04307791; s7930; AKOS025401600; CCG-269752; CS-0551; DB04845; NSC-710428; NSC-747973; BMS 247550 (Epothilone B analogue); NCGC00378665-02; (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione; 17-oxa-4-azabicyclo(14.1.0)heptadecane-5,9-dione, 7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-((1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl)-, (1S,3S,7S,10R,11S,12S,16R)-; 1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12,16-pentamethyl-3-((1E)-1-methyl-2-(2-methylthiazol-4-yl)ethenyl)-17-oxa-4-azabicyclo(14.1.0)heptadecane-5,9-dione; AC-22618; HY-10222; QC-11860; X7258; A11449; D04645; W-5316; 49309-EP2295426A1; 49309-EP2295427A1; 49309-EP2298768A1; 49309-EP2311840A1; AB01273979-01; 989I841; Azaepothilone B;BMS 247550;BMS 247550-1; SR-01000941577; J-014409; SR-01000941577-1; Q11711607; (1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-1,5,7,9,9-pentamethyl-14-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-13-azabicyclo[14.1.0]heptadecane-8,12-dione; (1r,5s,6s,7r,10s,14s,16s)-6,10-dihydroxy-1,5,7,9,9-pentamethyl-14-[[e]-1-(2-methyl-1,3-thiazol-4-yl]prop-1-en-2-yl)-17-oxa-13-azabicyclo(14,1,0)heptadecane-8,12-dione; 7-Oxa-4-azabicyclo[14.1.0]heptadecane -5, 7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-, (1S,3S,7S,10R,11S,12S,16R)-; GZX
Clinical Status
Approved
PubChem CID
6445540
Formula
C27H42N2O5S
Canonical SMILES
C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C
InChI
1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1
InChIKey
FABUFPQFXZVHFB-PVYNADRNSA-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=6445540"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 506.7 Topological Polar Surface Area 140
XlogP 3.6 Complexity 817
Heavy Atom Count 35 Rotatable Bond Count 2
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 7
Full List of Drug Formulations (DFMs) Containing This API
          Ixabepilone 15mg/vial injectable 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
Polyoxyethylated Castor Oil; Dehydrated Alcohol
                   Dosage Form Injectable
                   Company R-Pharm Us
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Polyoxyl 35 castor oil DIG Info Cholesterol 25-hydroxylase (EC50 = 1.1 uM) [1]
          Ixabepilone 45mg/vial injectable 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
Polyoxyethylated Castor Oil; Dehydrated Alcohol
                   Dosage Form Injectable
                   Company R-Pharm Us
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Polyoxyl 35 castor oil DIG Info Cholesterol 25-hydroxylase (EC50 = 1.1 uM) [1]
References
1 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.