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Substance Name: Romidepsin [USAN:INN]
RN: 128517-07-7
UNII: CX3T89XQBK
InChIKey: OHRURASPPZQGQM-GCCNXGTGSA-N

Note

  • A bicyclic depsipeptide and a potent histone deacetylase inhibitor from Chromobacterium violaceum.

Molecular Formula

  • C24-H36-N4-O6-S2

Molecular Weight

  • 540.7024
 

Classification Codes

  • Antibiotics, Antineoplastic
  • Antineoplastic Agents
  • Antitumor/Anticancer Drug
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Histone Deacetylase Inhibitors
  • Natural Product
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Names and Synonyms

Name of Substance

  • Romidepsin
  • Romidepsin [USAN:INN]

Synonyms

  • Antibiotic FR 901228
  • Chromadax
  • Cyclo((2Z)-2-amino-2-butenoyl-L-valyl-(3S,4E)-3-hydroxy-7-mercapto-4-heptenoyl-D-valyl-D-cysteinyl), cyclic (3->5)-disulfide
  • FK 228
  • FK228
  • FR 901228
  • FR-901228
  • FR901228
  • Istodax
  • NSC 630176
  • Romidepsin
  • UNII-CX3T89XQBK

Systematic Names

  • (1S,4S,7Z,10S,16E,21R)-7-Ethylidene-4,21-bis(1-methylethyl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo(8.7.6)tricos-16-ene-3,6,9,19,22-pentone
  • L-Valine, N-((3S,4E)-3-hydroxy-7-mercapto-1-oxo-4-heptenyl)-D-valyl-D-cysteinyl-(2Z)-2-amino-2-butenoxyl-, (4-1)-lactone, cyclic (1-2)-disulfide
  • L-Valine, N-(3-hydroxy-7-mercapto-1-oxo-4-heptenyl)-D-valyl-D-cysteinyl-(Z)-2,3-didehydro-2-aminobutanoyl-, xi-lactone, cyclic (1-2)-disulfide, (S-(E))-

Registry Numbers

CAS Registry Number

  • 128517-07-7

FDA UNII

  • CX3T89XQBK

System Generated Number

  • 0128517077

Structure Descriptors

InChI

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

Smiles

C\C=C\1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 6400ug/kg (6.4mg/kg)   Journal of Antibiotics. Vol. 47, Pg. 301, 1994.
mouse LD50 intravenous 10mg/kg (10mg/kg)   Journal of Antibiotics. Vol. 47, Pg. 301, 1994.