Temsirolimus is a specific mTOR inhibitor with an IC50 of 1.76 μM in the cell-free trial. Temsirolimus can induce autophagy and apoptosis.

 

Brand: BCM

 

Target: Apoptosis; mTOR; Autophagy

 

Signaling Pathways: Apoptosis; Autophagy; PI3K/Akt/mTOR signaling

 

In Vitro: Temsirolimus (CCI-779; 10 nmol/L to <5 μmol/L) exhibited a generally flat and cell-selective inhibition of cell proliferation. The most sensitive cell lines that were inhibited by ≥50% included LNCap, PC3MM2, MDA468, H446, and Caco2, whereas those with ≤25% inhibition were SW480, HT29, HCT116, and H460. Following a 3-day exposure to 100 nmol/L CCI-779, the numbers of colony-forming PC-3 and DU145 cells were 0.18 ± 0.09 and 0.37 ± 0.03, respectively, compared with controls.

 

Melting Point: 99-101°C

 

Boiling Point: 1048.4±75.0 °C(Predicted)

 

Flash Point: 587.8℃

 

pKa: 10.40±0.70(Predicted)

 

Solubility: Soluble in DMSO; Soluble in Ethanol. Insoluble in Water.

 

GHS: GHS08

 

Isomeric SMILES: C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC  

 

InChIKey: CBPNZQVSJQDFBE-FUXHJELOSA-N  

 

InChI: 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

 

Attribute
[Chem Name]	[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
[Synonym]	Temsirolimus; NSC 683864; CCI-779
[CAS No.]	162635-04-3
[EINECS]	686-177-0
[MDL No.]	MFCD00934421
[Formula]	C56H87NO16
[Molecular]	1030.29
[Form]	White to off-white powder
[Storage]	Sealed in dry. Store in freezer, under -20°C

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