CAS Number71610-00-9
Synonymschephalomannine; 3'-N-(trans-2-methyl-2-butenoyl)-3'-N-debenzoylpaclitaxel; caphalomannine; TAXOL B; CEPHALOMANNINE (TAXOL B); CEPHALOMANNINE(P)
Molecular FormulaC45H53NO14
Molecular Weight831.901
Purity97%
Density1.4±0.1 g/cm3
Boiling Point929.5±65.0 °C at 760 mmHg
Melting Point139-141ºC
Appearancesolid
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 71610-00-9 |
| Catalog No. | 2A-9009697 |
| Chinese Name | 三尖杉宁碱 |
| Synonyms | chephalomannine; 3'-N-(trans-2-methyl-2-butenoyl)-3'-N-debenzoylpaclitaxel; caphalomannine; TAXOL B; CEPHALOMANNINE (TAXOL B); CEPHALOMANNINE(P) |
| Molecular Formula | C45H53NO14 |
| Molecular Weight | 831.901 |
| Purity | 97 |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 929.5±65.0 °C at 760 mmHg |
| Melting Point | 139-141ºC |
| Appearance | solid |
| Water Solubility | DMSO: 14 mg/mL, soluble |
| Storage Condition | -20°C Freezer |
| Application | Cephalomannine is a paclitaxel derivative with anti-tumor activity. |
| HTC | 2932999022 |
| SMILES | CC=C(C)C(=O)NC(c1ccccc1)C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)C |
| InChI | InChI=1S/C45H53NO14/c1-9-23(2)39(52)46-33(27-16-12-10-13-17-27)34(50)41(54)58-29-21-45(55)38(59-40(53)28-18-14-11-15-19-28)36-43(8,30(49)20-31-44(36,22-56-31)60-26(5)48)37(51)35(57-25(4)47)32(24(29)3)42(45,6)7/h9-19,29-31,33-36,38,49-50,55H,20-22H2,1-8H3,(H,46,52)/b23-9+/t29-,30-,31+,33-,34+,35+,36?,38-,43+,44-,45+/m0/s1 |
| InChI Key | DBXFAPJCZABTDR-BDUDMYRDSA-N |
| Hazard Symbols | Transport |
| MSDS | msds/9697_1_71610_00_9.pdf |
| Bioactivity | Cephalomannine is a taxol derivative with antitumor, antiproliferative properties. IC50 value:Target: Cephalomannine is an active anti-cancer agent obtained from Taxus yunnanensis and has an antineoplastic effect on tumors found in mice. Cephalomannine is a chemotherapy drug that is given as a treatment for some types of cancer. Cephalomannine is most commonly used to treat non-small cell lung cancer. Related Catalog Signaling Pathways >> Cell Cycle/DNA Damage >> Microtubule/Tubulin Signaling Pathways >> Cytoskeleton >> Microtubule/Tubulin Natural Products >> Terpenoids and Glycosides Research Areas >> Cancer References [1]. T. Grobosch, B. Schwarze, D. Stoecklein et al. Fatal poisoning with Taxus baccata. Quantification of Paclitaxel (taxol A), 10-Deacetyltaxol, Baccatin III, 10-Deacetylbaccatin III, Cephalomannine (taxol B), and 3,5-Dimethoxyphenol in Body Fluids by Liquid [2]. Jing Zhang et al., Simultaneous Determination of 10-Deacetylbaccatin，Cephalomannine and Taxol in Different Parts of Taxus Media with Different Growth Years by UPLC. Applied Mechanics and Materials. 2011, 108, 326. [3]. Chang Z, Guo N, Liu T, et al. Distribution and variation of paclitaxel and cephalomannine contents in wild Taxus cuspidata. Zhongguo Zhong Yao Za Zhi. 2011 Feb;36(3):294-8. [4]. R Matesanz, J Rodríguez-Salarichs, B Pera, et al. Modulation of Microtubule Interprotofilament Interactions by Modified Taxanes. Biophysical Journal, 2011,101(12): 2970-2980. [5]. Elena Riva, Martin Mattarella, Stella Borrelli, et al. Preparation of Fluorescent Tubulin Binders. ChemPlusChem. Early View (Online Version of Record published before inclusion in an issue) Chemical & Physical Properties Density 1.4±0.1 g/cm3 Boiling Point 929.5±65.0 °C at 760 mmHg Melting Point 139-141ºC Molecular Formula C45H53NO14 Molecular Weight 831.901 Flash Point 516.0±34.3 °C Exact Mass 831.346619 PSA 221.29000 LogP 6.59 Vapour Pressure 0.0±0.3 mmHg at 25°C Index of Refraction 1.615 InChIKey DBXFAPJCZABTDR-BDUDMYRDSA-N SMILES CC=C(C)C(=O)NC(c1ccccc1)C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)C Storage condition -20°C Freezer Water Solubility DMSO: 14 mg/mL, soluble |
| Use of | Cephalomannine is a taxol derivative with antitumor, antiproliferative properties. IC50 value:Target: Cephalomannine is an active anti-cancer agent obtained from Taxus yunnanensis and has an antineoplastic effect on tumors found in mice. Cephalomannine is a chemotherapy drug that is given as a treatment for some types of cancer. Cephalomannine is most commonly used to treat non-small cell lung cancer. Properties Articles26 Name Cephalomannine Synonym More Synonyms Cephalomannine Biological Activity Description Cephalomannine is a taxol derivative with antitumor, antiproliferative properties. IC50 value:Target: Cephalomannine is an active anti-cancer agent obtained from Taxus yunnanensis and has an antineoplastic effect on tumors found in mice. Cephalomannine is a chemotherapy drug that is given as a treatment for some types of cancer. Cephalomannine is most commonly used to treat non-small cell lung cancer. Related Catalog Signaling Pathways >> Cell Cycle/DNA Damage >> Microtubule/Tubulin Signaling Pathways >> Cytoskeleton >> Microtubule/Tubulin Natural Products >> Terpenoids and Glycosides Research Areas >> Cancer References [1]. T. Grobosch, B. Schwarze, D. Stoecklein et al. Fatal poisoning with Taxus baccata. Quantification of Paclitaxel (taxol A), 10-Deacetyltaxol, Baccatin III, 10-Deacetylbaccatin III, Cephalomannine (taxol B), and 3,5-Dimethoxyphenol in Body Fluids by Liquid [2]. Jing Zhang et al., Simultaneous Determination of 10-Deacetylbaccatin，Cephalomannine and Taxol in Different Parts of Taxus Media with Different Growth Years by UPLC. Applied Mechanics and Materials. 2011, 108, 326. [3]. Chang Z, Guo N, Liu T, et al. Distribution and variation of paclitaxel and cephalomannine contents in wild Taxus cuspidata. Zhongguo Zhong Yao Za Zhi. 2011 Feb;36(3):294-8. [4]. R Matesanz, J Rodríguez-Salarichs, B Pera, et al. Modulation of Microtubule Interprotofilament Interactions by Modified Taxanes. Biophysical Journal, 2011,101(12): 2970-2980. [5]. Elena Riva, Martin Mattarella, Stella Borrelli, et al. Preparation of Fluorescent Tubulin Binders. ChemPlusChem. Early View (Online Version of Record published before inclusion in an issue) Chemical & Physical Properties Molecular Formula C45H53NO14 Exact Mass 831.346619 PSA 221.29000 Index of Refraction 1.615 InChIKey DBXFAPJCZABTDR-BDUDMYRDSA-N |
| Transport Info | Product name: Purity: 97.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
| Related Products in Specialty Chemicals | ||
|---|---|---|
| Celestolide | 13171-00-1 | 2A-9009689 |
| Celiprolol | 56980-93-9 | 2A-9009690 |
| Celiprolol hydrochloride | 57470-78-7 | 2A-9009691 |
| Cellulose acetate phthalate | 9004-38-0 | 2A-9009692 |
| Centella Triterpenic Genines | 2A-300777 | 2A-9009694 |
| Cephapirin | 24356-60-3 | 2A-9009698 |
| Cephradine | 38821-53-3 | 2A-9009699 |
| Ceronapril | 111223-26-8 | 2A-9009701 |
| Cesium chloride | 7647-17-8 | 2A-9009702 |
| Cetaben | 55986-43-1 | 2A-9009703 |
| Browse all Specialty Chemicals products » | ||
Phone:
630-322-8886
630-322-8887
Email:
Office Locations:
Chicago, IL, USA
San Francisco, CA, USA
EN
SDS