ChemSpider 2D Image | Romidepsin | C24H36N4O6S2

Romidepsin

  • Molecular FormulaC24H36N4O6S2
  • Average mass540.696 Da
  • Monoisotopic mass540.207642 Da
  • ChemSpider ID28499157
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,4S,7Z,10S,16Z,21R)-7-Ethyliden-4,21-diisopropyl-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16-en-3,6,9,19,22-penton [German] [ACD/IUPAC Name]
(1S,4S,7Z,10S,16Z,21R)-7-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 [ACD/IUPAC Name]
(1S,4S,7Z,10S,16Z,21R)-7-Éthylidène-4,21-diisopropyl-2-oxa-12,13-dithia-5,8,20,23-tétraazabicyclo[8.7.6]tricos-16-ène-3,6,9,19,22-pentone [French] [ACD/IUPAC Name]
128517-07-7 [RN]
2-Oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone, 7-ethylidene-4,21-bis(1-methylethyl)-, (1S,4S,7Z,10S,16Z,21R)- [ACD/Index Name]
(1R,4S,7Z,10S,16E,21R)-7-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-pe ntone
(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,16Z,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
(1S,4S,7Z,10S,16Z,21R)-7-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-pentaone
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

FK 228 [DBID]
FK228 [DBID]
FR 901228 [DBID]
NSC 630176 [DBID]
UN2811 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-15149
      Cell Cycle/DNA Damage; MedChem Express HY-15149
      Deacetylases Tocris Bioscience 3515
      Enzymes Tocris Bioscience 3515
      HDAC MedChem Express HY-15149
      Histone Deacetylases Tocris Bioscience 3515
      Potent and selective class I histone deacetylase inhibitor; antitumor Tocris Bioscience 3515
      Potent and selective inhibitor of class I histone deacetylases (HDACs) (IC50 values are 36, 47, 510 and 14,000 nM for HDAC1, HDAC2, HDAC4 and HDAC6 respectively). Exhibits cytotoxicity against various human tumor cell lines; also exhibits antitumor activity against human tumor xenografts. Tocris Bioscience 3515
      Potent and selective inhibitor of class I histone deacetylases (HDACs) (IC50 values are 36, 47, 510 and 14,000 nM for HDAC1, HDAC2, HDAC4 and HDAC6 respectively). Exhibits cytotoxicity against various human tumor cell lines; also exhibits antitumor activity against human tumor xenografts. Tocris Bioscience 3515
      Romidepsin (FK228, depsipeptide) is a potent HDAC1 and HDAC2 inhibitor with IC50 of 36 nM and 47 nM, respectively. MedChem Express
      Romidepsin (FK228, depsipeptide) is a potent HDAC1 and HDAC2 inhibitor with IC50 of 36 nM and 47 nM, respectively.; IC50 Value: 36 nM(HDAC1); 47 nM(HDAC2); Target: HDAC; Romidepsin, a selective inhibitor of histone deacetylases (HDACs), was approved for the treatment of cutaneous T-cell lymphoma in November 2009 by the U.S. MedChem Express HY-15149
      Romidepsin (FK228, depsipeptide) is a potent HDAC1 and HDAC2 inhibitor with IC50 of 36 nM and 47 nM, respectively.;IC50 Value: 36 nM(HDAC1); 47 nM(HDAC2);Target: HDACRomidepsin, a selective inhibitor of histone deacetylases (HDACs), was approved for the treatment of cutaneous T-cell lymphoma in November 2009 by the U.S. FDA. Romidepsin is a member of a new class of antineoplastic agents active in T-cell lymphoma, the histone deacetylase inhibitors. Romidepsin strongly down-regulated expression of the immunosuppressive cytokine, interleukin (IL)-10, frequently overexpressed in CTCL, at both the RNA and protein level in CTCL cell lines and at the RNA level in primary CTCL cells. Romidepsin also increased expression of IFNG RNA and decreased expression of IL-2 and IL-4 RNA, although to a lesser extent compared to IL-10. Romidepsin strongly inhibits HDAC1 and HDAC2 with IC50 of 1.6 nM and 3.9 nM, respectively, but is relatively weak in inhibiting HDAC4 and HDAC6 with IC50 25 nM and 79 MedChem Express HY-15149

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 942.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.3±3.0 kJ/mol
Flash Point: 524.0±34.3 °C
Index of Refraction: 1.529
Molar Refractivity: 142.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 0.95
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.65
ACD/KOC (pH 5.5): 88.00
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.65
ACD/KOC (pH 7.4): 87.99
Polar Surface Area: 193 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 460.4±3.0 cm3

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