7,8-DIHYDRO-L-BIOPTERIN CAS#: 6779-87-9; 凯望编码 (ChemWhat Code): 918837
Identification
| 英文名 | 7,8-DIHYDRO-L-BIOPTERIN CAS#: 6779-87-9 |
| IUPAC Name | 2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydro-3H-pteridin-4-one |
| 分子结构 |  |
| CAS编号 | 6779-87-9 |
| MDL Number | MFCD00866470 |
| 别名 | dihydrobiopterin 7,8-dihydrobiopterin L-erythro-7,8-Dihydrobiopterin Quinonoid dihydrobiopterin 7,8-Dihydro-L-biopterin L-erythro-q-dihydrobiopterin q-BH2 L-erythro-dihydrobiopterin 6779-87-9 2-amino-6-((1r,2s)-1,2-dihydroxypropyl)-7,8-dihydro-4(1h)-pteridinone 2-Amino-6-((1R,2S)-1,2-dihydroxypropyl)-7,8-dihydropteridin-4(1H)-one 2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydropteridin-4(3H)-one 2toh 4(1H)-Pteridinone, 2-amino-6-((1R,2S)-1,2-dihydroxypropyl)-7,8-dihydro- 4(1H)-Pteridinone, 2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-, (S-(R,S))- 4(1H)-Pteridinone, 2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-, [S-(R,S)]- 4(1H)-pteridinone, 2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydro- BH2 SCHEMBL22971947 CHEBI:43029 DTXSID00987125 AKOS040744155 CS-W009362 DB04400 HY-W008646 NS00015006 C02953 Q27104501 2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-4(1H)-Pteridinone L-erythro-1-(2-amino-7,8-dihydro-4-hydroxy-6-pteridinyl)-1,2-Propanediol (S-(R,S))-2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-4(1H)-Pteridinone 1,2-Propanediol, 1-(2-amino-7,8-dihydro-4-hydroxy-6-pteridinyl)-, L-erythro- |
| 分子式 | C9H13N5O3 |
| 分子量 | 239.23 |
| InChI | InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m0/s1 |
| InChI Key | FEMXZDUTFRTWPE-DZSWIPIPSA-N |
| Isomeric SMILES | C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O |
Physical Data
| Appearance | Yellow Solid |
| Description (Association (MCS)) | Partner (Association (MCS)) |
| Association with compound | recombinant tyrosine hydroxylase from Streptosporangium roseum DSM 43021 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Temperature (NMR Spectroscopy), °C |
| Spectrum | 1H | D2O | 18 |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm |
| Spectrum | water | 230 |
| Spectrum | water |
Route of Synthesis (ROS)
| Conditions | Yield |
| Stage #1: biopterin With hydrogen; triethylamine; platinum In water at 25℃; under 26252.6 Torr; for 23h; pH=11.2; Stage #2: With hydrogenchloride In water at 25℃; pH=< 1.0; Product distribution / selectivity; Experimental Procedure The combined aqueous solution containing biopterin from above was treated with triethylamine (136 mL) at 25 C. to adjust its pH to 11.2. The mixture was transferred to an autoclave, where a slurry of platinum black (1.2 g, 6 mmol) in distilled water (20 mL) was added to the mixture. After the resulting mixture was purged with nitrogen and hydrogen (3?2 bar nitrogen, 3?35 bar hydrogen), the mixture was stirred at 1,000 rpm at 25 C. under 35 bar hydrogen for 23 hrs, when the mixture contained ?1% biopterin a/a and ?8% 7,8-dihydrobiopterin a/a by HPLC. The mixture was purged with nitrogen and then filtered to remove the platinum catalyst. To increase the stability of tetrahydrobiopterin in solution, the pH of the filtrate solution was lowered to pH<1.0 by slow addition of 33% HCl (120 g, about 100 mL) at 25 C. |
Safety and Hazards
No data available
Other Data
| HS Code | |
| Storage | Store at 2~8 °C for long time, sealed and away from light. |
| Shelf Life | 3 years |
| Market Price |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 239.234 |
| logP | -2.312 |
| HBA | 8 |
| HBD | 5 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 132.33 |
| Rotatable Bond (RotB) | 2 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Sapropterin Impurity B CAS 6779-87-9 is one of the reduced forms of biopterin, and it along with its oxidized form, biopterin (BH4), plays a crucial role in the biosynthetic pathway of nitrogen oxides. Both biopterin and its reduced form, 7,8-dihydrobiopterin, are involved in the regulation of various physiological processes, particularly in the synthesis of nitric oxide (NO). |
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认证生产商 | |
| Caming Pharmaceutical Limited | http://www.caming.com/ |
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