CAS 135575-42-7|Pneumocandin B0
Introduction：Basic information about CAS 135575-42-7|Pneumocandin B0, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Pneumocandin B0 | ||
|---|---|---|---|
| CAS Number | 135575-42-7 | Molecular Weight | 1065.214 |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 1442.9±65.0 °C at 760 mmHg |
| Molecular Formula | C50H80N8O17 | Melting Point | / |
| MSDS | / | Flash Point | 826.5±34.3 °C |
Names
| Name | Pneumocandin B0 |
|---|---|
| Synonym | More Synonyms |
Pneumocandin B0 BiologicalActivity
| Description | Pneumocandin B0(L-688786), a key intermediate in the synthesis of the antifungal agent, Cancidas, has led to the identification of several materials with potential for improved performance. |
|---|---|
| Related Catalog | Signaling Pathways >>Anti-infection >>FungalResearch Areas >>Infection |
| References | [1]. Welch CJ, et al. Preparation and evaluation of novel stationary phases for improved chromatographic purification of pneumocandin B0. J Chromatogr A. 2006 Jan 6;1101(1-2):204-13. [2]. Leonard WR Jr, et al. Synthesis of the antifungal beta-1,3-glucan synthase inhibitor CANCIDAS (caspofungin acetate) from pneumocandin B0. J Org Chem. 2007 Mar 30;72(7):2335-43. |
Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 1442.9±65.0 °C at 760 mmHg |
| Molecular Formula | C50H80N8O17 |
| Molecular Weight | 1065.214 |
| Flash Point | 826.5±34.3 °C |
| Exact Mass | 1064.564087 |
| PSA | 411.28000 |
| LogP | -5.00 |
| Vapour Pressure | 0.0±0.3 mmHg at 25°C |
| Index of Refraction | 1.630 |
| InChIKey | DQXPFAADCTZLNL-FXDJFZINSA-N |
| SMILES | CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(O)C(O)NC(=O)C2C(O)CCN2C(=O)C(C(O)CC(N)=O)NC(=O)C(C(O)C(O)c2ccc(O)cc2)NC(=O)C2CC(O)CN2C(=O)C(C(C)O)NC1=O |
| Storage condition | -20°C |
Synonyms
| N-{(2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-[(1R)-3-Amino-1-hydroxy-3-oxopropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide |
| 1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloheneicosine-20-propanamide, 23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-9-[(10,12-dimethyl-1-oxotetradecyl)amino]tetracosahydro-β,2,11,12,15-pentahydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxo-, (βR,2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)- |
| PneumocandinB0 |
| 1H-Dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloheneicosine-20-propanamide, 23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-9-[(10,12-dimethyl-1-oxotetradecyl)amino]tetracosahydro-β,2,11 ,12,15-pentahydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxo-, (βR,2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)- |
| B0 PneuMocandin B0 |
| pneumocandin Bo |
| Pneumocardin B0 |
