ANSAMITOCIN P-3 CAS#: 66547-09-9(66584-72-3); 凯望编码 (ChemWhat Code): 101398
Identification
| 英文名 | ANSAMITOCIN P-3 |
| IUPAC Name | [(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] butanoate |
| 分子结构 |  |
| CAS编号 | 66547-09-9(66584-72-3) |
| EINECS Number | No data available |
| MDL Number | MFCD00274586 |
| Beilstein Registry Number | No data available |
| 别名 | (3E,5E,7R,84S)-12c-butyryloxy-14-chloro-10t,11c-epoxy-84-hydroxy-15,7r-dimethoxy-3,9c,11t,15-tetramethyl-(84r‘H,86c‘H)-15-aza-1(1,3)-benzena-8(4,6)-[1,3]oxazinana-cyclopentadecaphane-3,5-diene-82,14-dione,?O3-butyryl-maytansinol, C-15003 P-3′,Ansamitocin P-3′, antibiotic C-15003-P-3′, ansamitocin-P-3′ |
| 分子式 | C32H43ClN2O9 |
| 分子量 | 635.14 |
| InChI | InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9+,18-10+/t19-,23+,24-,25+,28-,31+,32+/m1/s1 |
| InChI Key | OPQNCARIZFLNLF-KUDLRRJMSA-N |
| Canonical SMILES | C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@@H]1O4)C)OC(=O)C(C)C)C)\C)OC)(NC(=O)O2)O |
| Patent Information |
| No data available |
Physical Data
| Appearance | White to almost white powder |
| Boiling Point | 837.6±65.0 °C(Predicted) |
| Melting Point, °C | Comment (Melting Point) |
| 182 – 185 | Decomposition |
| Type (Optical Rotatory Power) | Concentration (Optical Rotatory Power) | Solvent (Optical Rotatory Power) | Optical Rotatory Power, deg | Wavelength (Optical Rotatory Power), nm |
| [alpha] | 0.11 g/100ml | CHCl3 | -134 | 589 |
Spectra
| Description (NMR Spectroscopy) |
| Spectrum |
| Description (IR Spectroscopy) |
| Spectrum |
| Description (UV/VIS Spectroscopy) |
| Absorption maxima |
Route of Synthesis (ROS)
| Conditions | Yield |
| With dmap; dicyclohexyl-carbodiimide In dichloromethane for 1h; Ambient temperature; | 54.2% |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (97.5%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Information may vary between notifications depending on impurities, additives, and other factors. |
| SDS | English Version |
| Precautionary Statement Codes | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) For more detailed information, please visit ECHA C&L website |
Source: European Chemicals Agency (ECHA)
License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.
License URL: https://echa.europa.eu/web/guest/legal-notice
Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate
URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446
Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 1 year |
| Market Price | USD 3500/g |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 635.154 |
| logP | 4.051 |
| HBA | 10 |
| HBD | 2 |
| Matching Lipinski Rules | 3 |
| Veber rules component | |
| Polar Surface Area (PSA) | 136.16 |
| Rotatable Bond (RotB) | 6 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Ansamitomicin P-3 is an ansamacrolide and maytansine analogue originally isolated from the Ethiopian shrub Maytenus serrata with antineoplastic activity. |
| Ansamitomicin P-3 binds to tubulin at the maytansine-binding site, thereby inhibiting microtubule assembly, inducing microtubule disassembly, and disrupting mitosis. |
试剂采购 | |
| Sigma-Aldrich A2836 | 1mg, 90% |
| ChemWhat 101398 | 1g, 5g, 98% |
| 没有试剂厂商? | 向凯望发送快速询价 |
| 想要被列为试剂厂商? (付费服务) | 点击这里联系凯望 |
认证生产商 | |
| Watson Bio Ltd | https://www.watson-bio.com/ |
| 想要被列为认证生产商 (需要通过认证)? | 请下载并填写 这份表格并发邮件到approved-manufacturers@chemwhat.com |
其他供应商 | |
| Watson International Limited | 访问Watson官网 |
如需其他帮助，请联系我们 | |
| 联系我们获取其它信息或服务 | 点击这里联系凯望 |