Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01401)
Name
Romidepsin
Synonyms    Click to Show/Hide the Synonyms of This API
Romidepsin; FK228; Depsipeptide; Istodax; Antibiotic FR 901228; FR901228; 128517-07-7; Chromadax; FK-228; FR 901228; FR-901228; NSC-630176; C24H36N4O6S2; FK 228; CHEMBL343448; CHEBI:61080; NSC630176; NSC754143; UNII-CX3T89XQBK; (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone; (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-bis(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone; Istodax (TN); CX3T89XQBK; HDInhib_000006; romidepsina; romidepsine; romidepsinum; OXA-12,8,20,23-TETRAZABICYCLO[8.7.6]TRICOSANE, CYCLIC PEPTIDE DERIV.; Romidepsin; FK-228; FK-901228; Probes1_000153; Probes2_000337; Romidepsin (JAN/USAN/INN); SCHEMBL677497; GTPL7006; Romidepsin, >=98% (HPLC); BDBM19151; AOB1853; Romidepsin (FK228 ,depsipeptide); ZINC3935130; 2692AH; MFCD18433404; s3020; API0005301; CS-0985; DB06176; NSC-754143; HY-15149; D06637; W-5757; 49300-EP2298768A1; 49300-EP2311840A1; AB01273968-01; SR-01000941579; Q7363205; SR-01000941579-1; L-Valine,3-didehydro-2- aminobutanoyl-,.xi.-lactone, cyclic (1.fwdarw.2)-disulfide; L-Valine,3-didehydro-2-aminobutanoyl-,.xi.-lactone, cyclic (1.fwdarw.2)-disulfide; (1S,4S,7Z,10S,16E,21R)-7- ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23- tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone; (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-bis(1methylethyl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16ene-3,6,9,19,22-pentone; (E)-(1S,10S,21R)-7-[(Z)-Ethylidene]-4,21-diisopropyl-2- oxa-12,13-dithia-5,8,20,23- tetraazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone; (E)-(1S,10S,21R)-7-[(Z)-Ethylidene]-4,21-diisopropyl-2- oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone; Cyclo[(2Z)-2-amino-2-butenoyl-L-val yl-(3S,4E)-3-hydroxy-7-mercapto-4-heptenoyl-D-valy l-D-cysteinyl], cyclic (3-5) disulfide; Cyclo[(2Z)-2-amino-2-butenoyl-L-valyl-(3S,4E)-3-hydroxy-7-mercapto-4-heptenoyl-D-valyl-D-cysteinyl], cyclic (3-5) disulfide
Clinical Status
Approved
PubChem CID
5352062
Formula
C24H36N4O6S2
Canonical SMILES
C/C=C\\1/C(=O)N[C@H](C(=O)O[C@H]\\2CC(=O)N[C@@H](C(=O)N[C@H](CSSCC/C=C2)C(=O)N1)C(C)C)C(C)C
InChI
1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1
InChIKey
OHRURASPPZQGQM-GCCNXGTGSA-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=5352062"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 540.7 Topological Polar Surface Area 193
XlogP 2.2 Complexity 905
Heavy Atom Count 36 Rotatable Bond Count 2
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 8
Full List of Drug Formulations (DFMs) Containing This API
          Romidepsin 10mg/2ml solution 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
Povidone; Dl-Alpha-Tocopherol; Dehydrated Alcohol; Propylene Glycol
                   Dosage Form Solution
                   Company Teva Pharms Usa
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
DL-alpha-tocopherol DIG Info Presenilin 1 (EC50 > 100000 nM) [1]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [2]
Povidone DIG Info Cholesterol 25-hydroxylase (IC50 = 78.3 uM) [3]
          Romidepsin 27.5mg/5.5ml solution 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
Povidone; Dl-Alpha-Tocopherol; Dehydrated Alcohol; Propylene Glycol
                   Dosage Form Solution
                   Company Teva Pharms Usa
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
DL-alpha-tocopherol DIG Info Presenilin 1 (EC50 > 100000 nM) [1]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [2]
Povidone DIG Info Cholesterol 25-hydroxylase (IC50 = 78.3 uM) [3]
          Romidepsin 10mg/vial powder 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
Povidone; Propylene Glycol; Dehydrated Alcohol
                   Dosage Form Powder
                   Company Celgene
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [2]
Povidone DIG Info Cholesterol 25-hydroxylase (IC50 = 78.3 uM) [3]
References
1 Membrane anchoring -secretase modulators with terpene-derived moieties. Bioorg Med Chem Lett. 2013 Jul 1; 23(13):3852-6.
2 Pharmaceutical excipients inhibit cytochrome P450 activity in cell free systems and after systemic administration. Eur J Pharm Biopharm. 2008 Sep;70(1):279-88.
3 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.

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