Temsirolimus

CAT: 0931-T2145-05Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T2145-05Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

162635-04-3

Target

Antibacterial, Autophagy, mTOR, Apoptosis

Related Pathways

Microbiology/Virology, PI3K/Akt/mTOR signaling, Apoptosis, Autophagy

Purity

>99.99%

Bioactivity

Temsirolimus (CCI-779) is a specific mTOR inhibitor (IC50: 1.76 μM), used in the treatment of advanced renal cell cancer.

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)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OC(=O)C(C)(CO)CO

Molecular Formula

C56H87NO16

Molecular Weight

1030.29

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Temsirolimus

Temsirolimus is a derivative of sirolimus used in the treatment of renal cell carcinoma (RCC). It was developed by Wyeth Pharmaceuticals under the trade name Torisel. Temsirolimus was approved by the FDA in late May 2007 as well as the European Medicines Agency (EMEA) on November 2007.

CAS Number	162635-04-3
PubChem CID	6918289
IUPAC 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
Molecular Formula	C56H87NO16
Molecular Weight	1030.3
XLogP	5.6
Topological Polar Surface Area	242
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	11
Heavy Atom Count	73
Formal Charge	0
Complexity	2010

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

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

InChIKey

CBPNZQVSJQDFBE-FUXHJELOSA-N

Chemical Structure

2D Structure

CAS: 162635-04-3

CID: 6918289

Formula: C56H87NO16

MW: 1030.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1030.3
XLogP3	5.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	11
Exact Mass	1029.60248569
Monoisotopic Mass	1029.60248569
Topological Polar Surface Area	242 Å²
Heavy Atom Count	73
Formal Charge	0
Complexity	2010
Isotope Atom Count	0
Defined Atom Stereocenter Count	15
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	4
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
A8314-S	Temsirolimus

Temsirolimus

Chemical Information

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