CAS Number132201-33-3
Synonyms(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid; MFCD00274633
Molecular FormulaC6H5CONHCH(C6H5)CH(OH)CO2H
Molecular Weight285.29
Purity98%
Density1.316g/cm3
Boiling Point580.7ºC at 760 mmHg
Melting Point169-172 °C (lit.)
Appearancewhite powder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 132201-33-3 |
| Catalog No. | 2A-9052180 |
| Chinese Name | N-苯甲酰基-(2R,3S)-3-苯基异丝氨酸 |
| Synonyms | (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid; MFCD00274633 |
| Molecular Formula | C6H5CONHCH(C6H5)CH(OH)CO2H |
| Molecular Weight | 285.29 |
| Purity | 98 |
| Density | 1.316g/cm3 |
| Boiling Point | 580.7ºC at 760 mmHg |
| Melting Point | 169-172 °C (lit.) |
| Appearance | white powder |
| Storage Condition | -20℃ |
| Application | N-Benzoyl-(2R,3S)-3-phenylisoserine is the C-13 side chain of paclitaxel and is crucial for the strong anti-tumor activity of paclitaxel [1]. |
| PubChem ID | 24868119 |
| MDL Number | MFCD00274633 |
| SMILES | O[C@H]([C@@H](NC(=O)c1ccccc1)c2ccccc2)C(O)=O |
| InChI | 1S/C16H15NO4/c18-14(16(20)21)13(11-7-3-1-4-8-11)17-15(19)12-9-5-2-6-10-12/h1-10,13-14,18H,(H,17,19)(H,20,21)/t13-,14+/m0/s1 |
| InChI Key | HYJVYOWKYPNSTK-UONOGXRCSA-N |
| NACRES Code | NA.22 |
| eCl@ss | 32160406 |
| UNSPSC | 12352209 |
| Hazard Symbols | transportation |
| MSDS | msds/52180_1_132201_33_3.pdf |
| Bioactivity | N-Benzoyl-(2R,3S)-3-phenylisoserine is a Taxol C-13 Side Chain and crucial for the strong antitumor activity of Taxol[1]. Related Catalog Signaling Pathways >> Others >> Others Natural Products >> Others Research Areas >> Cancer References [1]. Iwao Ojima, et al. Efficient and Practical Asymmetric Synthesis of the Taxol C-13 Side Chain, N-Benzoyl-(2R,3S)-3-phenylisoserinea,n d Its Analogues via Chiral3-Hydroxy-4-aryl-&lactams through Chiral Ester Enolate-Imine Cyclocondensation. Chemical & Physical Properties Density 1.316g/cm3 Boiling Point 580.7ºC at 760 mmHg Melting Point 169-172 °C(lit.) Molecular Formula C16H15NO4 Molecular Weight 285.29500 Flash Point 305ºC Exact Mass 285.10000 PSA 86.63000 LogP 1.99410 Vapour Pressure 2.51E-14mmHg at 25°C Index of Refraction 1.625 InChIKey HYJVYOWKYPNSTK-UONOGXRCSA-N SMILES O=C(NC(c1ccccc1)C(O)C(=O)O)c1ccccc1 Storage condition -20℃ |
| Use of | N-Benzoyl-(2R,3S)-3-phenylisoserine is a Taxol C-13 Side Chain and crucial for the strong antitumor activity of Taxol[1]. Properties Name (2R,3S)-N-Benzoyl-3-phenyl Isoserine Synonym More Synonyms N-Benzoyl-(2R,3S)-3-phenylisoserine Biological Activity Description N-Benzoyl-(2R,3S)-3-phenylisoserine is a Taxol C-13 Side Chain and crucial for the strong antitumor activity of Taxol[1]. Related Catalog Signaling Pathways >> Others >> Others Natural Products >> Others Research Areas >> Cancer References [1]. Iwao Ojima, et al. Efficient and Practical Asymmetric Synthesis of the Taxol C-13 Side Chain, N-Benzoyl-(2R,3S)-3-phenylisoserinea,n d Its Analogues via Chiral3-Hydroxy-4-aryl-&lactams through Chiral Ester Enolate-Imine Cyclocondensation. Chemical & Physical Properties Molecular Formula C16H15NO4 Exact Mass 285.10000 PSA 86.63000 LogP 1.99410 Index of Refraction 1.625 InChIKey HYJVYOWKYPNSTK-UONOGXRCSA-N Storage condition -20℃ |
| Transport Info | Shipping Name: UN |
| 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 United Nations shipping name 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 Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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