| CAS ID: | 33069-62-4 |
| Molecular Formula: | C47H51NO14 |
| Molecular Weight: | 853.9 g/mol |
| Monoisotopic Mass: | 853.331 g/mol |
| Class: | Small Molecule |
| Natural Product: | Yes |
| Other Names: | BMS-181339-01 | PACITAXEL | PACLITAXEL | PAXENE | ABRAXANE | TAXOL | TAXOL 100 |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1 | See All |
| InChI Key: | RCINICONZNJXQF-MZXODVADSA-N | |
| Smiles: | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C | See All |
| Molfile: | Download |
Reference Record 1
| PubMed ID | 22579993 | Target ID | |
| Uniprot ID | Name | ||
| Model | vitro | Fibrosis Disease | Eye fibrosis |
| Process I | |||
| Process II | fibroblasts proliferation | ||
| Process III | |||
| Mechanism | |||
Trial Record 1
| ClinicalTrial ID | NCT03095001 | Disease | Peritoneal fibrosis |
| Phase | Phase 2 | Status | Recruiting |
| First Received | March 29, 2017 | Last Verified | April 13, 2017 |
| Sponsor | Chinese PLA General Hospital | ||
| PubChem: | 36314 |
| ChEMBL: | CHEMBL428647 |