
CAS Number162635-04-3
SynonymsCCL-779; TeMsiroliMus (~); Torisel; Temsirolimus; 42-[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoate]rapamycin; Rapamycin (42-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate]; TeMsiroliMus (Torisel); Rapamycin 42-[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoate; NSC 683864
Molecular FormulaC56H87NO16
Molecular Weight1030.287
Purity98%
Density1.2±0.1 g/cm3
Boiling Point1048.4±75.0 °C at 760 mmHg
Melting Point99-101ºC
Appearancewhite to off-white
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 162635-04-3 |
| Catalog No. | 2A-9091690 |
| Chinese Name | Temsirolimus (CCI-779) |
| Synonyms | CCL-779; TeMsiroliMus (~); Torisel; Temsirolimus; 42-[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoate]rapamycin; Rapamycin (42-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate]; TeMsiroliMus (Torisel); Rapamycin 42-[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoate; NSC 683864 |
| Molecular Formula | C56H87NO16 |
| Molecular Weight | 1030.287 |
| Purity | 98 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 1048.4±75.0 °C at 760 mmHg |
| Melting Point | 99-101ºC |
| Appearance | white to off-white |
| Water Solubility | Soluble in chloroform, methanol. |
| Storage Condition | -20°C Freezer |
| Application | Temsirolimus is an mTOR inhibitor with an IC50 value of 1.76 μM. |
| HTC | 29349990 |
| PubChem ID | 12014940 |
| SMILES | COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C |
| 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 |
| InChI Key | CBPNZQVSJQDFBE-HELDCPHESA-N |
| MSDS | msds/91690_1_162635_04_3.pdf |
| Transport Info | Product Name: Temsirolimus |
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