THIONICOTINAMIDE ADENINE DINUCLEOTIDE CAS#: 4090-29-3; 凯望编码 (ChemWhat Code): 623152
Identification
| 英文名 | THIONICOTINAMIDE ADENINE DINUCLEOTIDE |
| IUPAC Name | Thio-NAD |
| 分子结构 |  |
| CAS编号 | 4090-29-3 |
| EINECS Number | 207-322-2 |
| MDL Number | MFCD00079609 |
| Beilstein Registry Number | No data available |
| 别名 | thio-nicotinamide adenine dinucleotide, thio-NAD+, diphosphoric acid-1-adenosin-5′-ylester-2-[(1R)-1-(3-thiocarbamoyl-pyridinio)-D-1,4-anhydro-ribitol-5-ylester]-betaine, Diphosphorsaeure-1-adenosin-5′-ylester-2-[(1R)-1-(3-thiocarbamoyl-pyridinio)-D-1,4-anhydro-ribit-5-ylester]-betain, adenosine 5′-(trihydrogen diphosphate), 5′->5′-ester with 3-(aminothioxomethyl)-1-β-D-ribofuranosylpyridinium-ate |
| 分子式 | C21H27N7O13SP2 |
| 分子量 | 679.49 |
| InChI | InChI=1S/C21H27N7O13P2S/c22-17-12-19(25-7-24-17)28(8-26-12)21-14(31)13(30)11(39-21)6-37-42(33,34)41-43(35,36)40-16-10(5-29)38-20(15(16)32)27-3-1-2-9(4-27)18(23)44/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,44)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 |
| InChI Key | DQRRIGAXTAXHLR-NNYOXOHSSA-N |
| Canonical SMILES | c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)C(=S)N |
| Patent Information |
| No data available |
Physical Data
| Appearance | Light yellow or yellow-green powder |
| Description (Association (MCS)) | Temperature (Association (MCS)), °C | Partner (Association (MCS)) |
| Association with compound | 37 | apo enzyme S-adenosylhomocysteine hydrolase from human source |
| Association with compound | 37 | apo enzyme S-adenosylhomocysteine hydrolase from Trypanosoma cruzi |
Spectra
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm |
| Absorption maxima | H2O | 260 |
| Absorption maxima | aq. HCl | 260 |
| Absorption maxima | aq. NaOH | 260 |
Route of Synthesis (ROS)
| Conditions | Yield |
| With ethylenediaminetetraacetic acid; ethanol; alcohol dehydrogenase at 25℃; for 0.5h; pH=8.4; phosphate buffer; Enzymatic reaction; |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
| 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 | 290621 |
| Storage | Store at -20 ℃, sealed and protected from light. |
| Shelf Life | One and a half years. |
| Market Price | USD |
| Use Pattern |
| THIONICOTINAMIDE ADENINE DINUCLEOTIDE CAS#: 4090-29-3 used in conjunction with 3α-hydroxysteroid dehydrogenase (3α-HSD). |
| THIONICOTINAMIDE ADENINE DINUCLEOTIDE CAS#: 4090-29-3 uesd for the development and mass preparation of total bile acid (TBA) reagents. |
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| Ulcho Biochemical Ltd | http://www.ulcho.com/ |
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