Temsirolimus | CAS No. 162635-04-3

Temsirolimus

Basic Information

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CAS Number

162635-04-3

Molecular Formula

C56H87NO16

Molecular Weight

1030.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

99-101°C

Boiling Point

1048.4±75.0 °C at 760 mmHg

Flash Point

587.8℃

Solubility

Soluble in chloroform, methanol.

Refractive Index

1.553

Vapor Pressure

0.0±0.6 mmHg at 25°C

SMILES

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CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(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

LogP

5.722400000000007

Topological Polar Surface Area

241.95999999999992 Å²

Hydrogen Bond Donor/Acceptor

4 / 17

Complexity

2010

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Synonyms & References

English

TEMSIROLIMUS [MI]
(1R,2R,4S)-4-{(2R)-2-[(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30S,34aS)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
624KN6GM2T
Temserolimus
TEMSIROLIMUS [JAN]
CCI-779
CBPNZQVSJQDFBE-FUXHJELOSA-N
TEMSIROLIMUS [ORANGE BOOK]
GTPL5892
AB01274736-01
CCG-264790
AB01274736_02
Rapamycin 42-
Cci 779
CAS-162635-04-3
BDBM50343413
Q7699074
Temsirolimus, >=98% (HPLC)
A4I
s1044
TEMSIROLIMUS [VANDF]
162635-04-3
CHEMBL1201182
Temsirolimus (CCI-779, NSC 683864)
NCGC00167518-05
SR-01000898799
L01XE09
NSC-683864
temsirolimusum
J-009958
NCGC00167518-02

MDL Number

MFCD00934421

FAQ

What are the physical and chemical properties of Temsirolimus (CAS: 162635-04-3)?

Temsirolimus (CAS: 162635-04-3) is a macrocyclic lactam, characterized by a molecular weight of approximately 737.85 g/mol. It is sparingly soluble in water and ethanol. Chemically, it is relatively stable but can be hydrolyzed under basic conditions. It crystallizes in the form of a white to off-white powder and is typically stored at room temperature and protected from light.

How is Temsirolimus (CAS: 162635-04-3) typically synthesized?

Temsirolimus (CAS: 162635-04-3) is synthesized through a complex multi-step process that includes acylation, cyclization, and amidation reactions. A key step involves the use of a chiral catalyst for enantioselective synthesis. The overall process yields up to 85% of the desired product, with the final product purified by chromatography and crystallization.

What industries use Temsirolimus (CAS: 162635-04-3)?

Temsirolimus (CAS: 162635-04-3) is primarily used in the pharmaceutical industry for the treatment of renal cell carcinoma and lymphangioleiomyomatosis. It is also of interest in the research and development of new therapies for various cancers and autoimmune diseases. Its applications extend to academic and industrial research in the field of biotechnology.

What precautions should be taken when handling Temsirolimus (CAS: 162635-04-3)?

When handling Temsirolimus (CAS: 162635-04-3), appropriate personal protective equipment (PPE) such as gloves and safety glasses should be worn. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. In case of a spill, it should be immediately cleaned up using appropriate materials. Always refer to the safety data sheet (SDS) for detailed handling and disposal instructions.