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Substance Name: Temsirolimus [USAN:INN:BAN:JAN]
RN: 162635-04-3
UNII: 624KN6GM2T
InChIKey: CBPNZQVSJQDFBE-FUXHJELOSA-N

Notes

  • Inhibits mTOR protein.
  • Inhibits mTOR protein.

    NCI: An ester analog of rapamycin. Temsirolimus binds to and inhibits the mammalian target of rapamycin (mTOR), resulting in decreased expression of mRNAs necessary for cell cycle progression and arresting cells in the G1 phase of the cell cycle. mTOR is a serine/threonine kinase which plays a role in the PI3K/AKT pathway that is upregulated in some tumors. (NCI Thesaurus)

Molecular Formula

  • C56-H87-N-O16

Molecular Weight

  • 1030.2943
 

Classification Code

  • Antineoplastic (mTOR Inhibitor)

Names and Synonyms

Name of Substance

  • Temsirolimus
  • Temsirolimus [USAN:INN:BAN:JAN]

Synonyms

  • (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-Hexadecahydro-9,27-dihydroxy-3-((1R)-2-((1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl)-1-methylethyl)-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-23,27-epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone 4'-(2,2-bis(hydroxymethyl)propionate)
  • CCI 779
  • CCI-779
  • HSDB 7931
  • Rapamycin 42-(2,2-bis(hydroxymethyl)propionate)
  • Temsirolimus
  • Torisel
  • UNII-624KN6GM2T
  • WAY-CCI 779

Systematic Name

  • Rapamycin, 42-(3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate)

Registry Numbers

CAS Registry Number

  • 162635-04-3

FDA UNII

  • 624KN6GM2T

Other Registry Numbers

  • 1034922-90-1
  • 343261-52-9

System Generated Number

  • 0162635043

Structure Descriptors

InChI

1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1

InChIKey

CBPNZQVSJQDFBE-FUXHJELOSA-N

Smiles

CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(/C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(/C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)CC[C@H]1OC(=O)C(C)(CO)CO