53123-88-9
Product Name:
Rapamycin
Formula:
C51H79NO13
Synonyms:
Rapamycin;Sirolimus;23,27-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontine;23,27-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontine solution;mTOR Inhibitor I
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless solid; [Merck Index] |
|---|---|
| Color/Form | Colorless crystalline solid from ether |
| Boiling Point | 183-185 |
| Melting Point | 183-185 °C |
| Solubility | Sol in ether, chloroform, acetone, methanol, and DMF; very sparingly sol in hexane and petr ether. |
| LogP | 4.63 |
| Optical Rotation | Specific optical rotation at 25 °C for D (sodium) line = -58.2 deg (methanol) |
| Collision Cross Section | 311.6 Ų [M+Na]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | Hydroxyl radical reaction rate constant = 4.63X10-10 cu-cm/molecule sec at 25 °C /Estimated/ |
| Chemical Classes | Biological Agents -> Bacterial Toxins |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| GHS Hazard Statements |
H351:Carcinogenicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P280:Wear protective gloves/protective clothing/eye protection/face protection. P308+P313:IF exposed or concerned: Get medical advice/attention. P405:Store locked up. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 914.2 g/mol |
|---|---|
| XLogP3 | 6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 6 |
| Exact Mass | 913.55514157 g/mol |
| Monoisotopic Mass | 913.55514157 g/mol |
| Topological Polar Surface Area | 195 Ų |
| Heavy Atom Count | 65 |
| Formal Charge | 0 |
| Complexity | 1760 |
| 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 |
PRODUCT INTRODUCTION
Description
Sirolimus is a macrolide lactam isolated from *Streptomyces hygroscopicus*, characterized by a 29-membered ring containing four trans double bonds, three of which are conjugated. This compound functions as an antibiotic, immunosuppressive, and antineoplastic agent. It has multiple roles, including serving as an immunosuppressive agent, an antineoplastic agent, an antibacterial drug, an mTOR inhibitor, a bacterial metabolite, an anticoronaviral agent, and a geroprotector. Structurally, sirolimus is a cyclic acetal, a cyclic ketone, an ether, a secondary alcohol, an organic heterotricyclic compound, an antibiotic antifungal drug, and a macrolide lactam.
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