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Fosaprepitant dimeglumine salt - ≥99%, high purity , Neurokinin 1 receptor antagonist, CAS No.265121-04-8, Neurokinin 1 receptor antagonist
Basic Description
| Synonyms | D-Glucitol, 1-deoxy-1-(methylamino)-, (3-(((2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4- morpholinyl)methyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazol-1-yl)phosphonate (2:1) (salt) | (3-(((2R,3S)-2-((1R)-1-(3,5-bis(trifluoro |
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| Specifications & Purity | ≥99% |
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| Storage Temp | Store at -20°C |
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| Shipped In | Ice chest + Ice pads |
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| Action Type | ANTAGONIST |
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| Mechanism of action | Neurokinin 1 receptor antagonist |
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| Product Description | Fosaprepitant is a water-soluble phosphoryl prodrug for Aprepitant which is a NK1 antagonist. |
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Associated Targets(non-human)
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | [3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-4H-1,2,4-triazol-1-yl]phosphonic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol |
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| INCHI | InChI=1S/C23H22F7N4O6P.2C7H17NO5/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38;2*1-8-2-4(10)6(12)7(13)5(11)3-9/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38);2*4-13H,2-3H2,1H3/t12-,19+,20-;2*4-,5+,6+,7+/m100/s1 |
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| InChi Key | VRQHBYGYXDWZDL-OOZCZQCLSA-N |
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| Canonical SMILES | CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NN(C(=O)N3)P(=O)(O)O)C4=CC=C(C=C4)F.CNCC(C(C(C(CO)O)O)O)O.CNCC(C(C(C(CO)O)O)O)O |
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| Isomeric SMILES | C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NN(C(=O)N3)P(=O)(O)O)C4=CC=C(C=C4)F.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O |
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| Alternate CAS | 172673-20-0 |
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| PubChem CID | 135564864 |
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| Molecular Weight | 1004.83 |
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Chemical and Physical Properties
| Solubility | DMSO 201 mg/mL Water 135 mg/mL Ethanol |
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Safety and Hazards(GHS)
| Pictogram(s) | GHS08, GHS09, GHS05, GHS07 |
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| Signal | Danger |
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| Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H373:Causes damage to organs through prolonged or repeated exposure H302:Harmful if swallowed H318:Causes serious eye damage H410:Very toxic to aquatic life with long lasting effects |
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| Precautionary Statements | P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P260:Do not breathe dust/fume/gas/mist/vapors/spray. P270:Do not eat, drink or smoke when using this product. P362+P364:Take off contaminated clothing and wash it before reuse. P391:Collect spillage. P330:Rinse mouth. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P317:IF SWALLOWED: Get medical help. P305+P354+P338:IF IN EYES: Immediately rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing. P317:Get emergency medical help. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell. |
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