Determine the necessary mass, volume, or concentration for preparing a solution.
Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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SKU | Size | Availability | Price | Qty |
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A125005-5mg | 5mg | Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience! | $64.90 | |
A125005-25mg | 25mg | Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience! | $97.90 | |
A125005-100mg | 100mg | In stock | $128.90 | |
A125005-250mg | 250mg | In stock | $162.90 | |
A125005-500mg | 500mg | Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience! | $195.90 | |
A125005-1g | 1g | In stock | $352.90 | |
A125005-5g | 5g | In stock | $1,587.90 | |
A125005-25g | 25g | In stock | $7,144.90 |
Potent and highly selective Neurokinin-1 (NK-1) receptor antagonist
Synonyms | MK-869 | L-754030 | 3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)-1,4-oxazinan-4-ylmethyl]-4,5-dihydro-1H-1,2,4-triazol-5-one | MK 869 | HMS3648G07 | C23H21F7N4O3 | D02968 | EN300-761455 | CICLESONIDE [WHO-DD] | APREPITANT [ORANGE BOOK |
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Specifications & Purity | Moligand™, ≥98% |
Biochemical and Physiological Mechanisms | Aprepitant is a novel selective neurokinin-1 (NK-1) receptor antagonist. In vitro studies using human liver microsomes show that it is metabolized primarily by CYP3A4 with minor metabolism by CYP2C19 and CYP1A2.Potent (IC 50 = 0.09nM; K i = 19 pM), long-a |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
Grade | Moligand™ |
Action Type | ANTAGONIST |
Mechanism of action | Neurokinin 1 receptor antagonist |
Note | Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details. |
Product Description | Aprepitant is a potent and selective neurokinin-1 receptor antagonist |
ALogP | 4.2 |
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Pubchem Sid | 488202865 |
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Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488202865 |
IUPAC Name | 3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one |
INCHI | InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1 |
InChi Key | ATALOFNDEOCMKK-OITMNORJSA-N |
Canonical SMILES | CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F |
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=NNC(=O)N3)C4=CC=C(C=C4)F |
PubChem CID | 135413536 |
Molecular Weight | 534.43 |
Wikipedia | Aprepitant |
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DrugBank Ligand | DB00673 |
ChEBI | CHEBI:499361 |
CAS Registry No. | 170729-80-3 |
PubChem CID | 135413536 |
ChEMBL Ligand | CHEMBL1471 |
PEP | aprepitant |
RCSB PDB Ligand | GBQ |
DrugCentral Ligand | 230 |
GPCRdb Ligand | aprepitant |
PubChem SID | 488202865 |
Enter Lot Number to search for COA:
Find and download the COA for your product by matching the lot number on the packaging.
Lot Number | Certificate Type | Date | Item |
---|---|---|---|
G2203027 | Certificate of Analysis | Apr 07, 2024 | A125005 |
G2203031 | Certificate of Analysis | Apr 07, 2024 | A125005 |
G2203032 | Certificate of Analysis | Apr 07, 2024 | A125005 |
G2203033 | Certificate of Analysis | Apr 07, 2024 | A125005 |
G2203036 | Certificate of Analysis | Apr 07, 2024 | A125005 |
G2120070 | Certificate of Analysis | May 09, 2023 | A125005 |
G2120334 | Certificate of Analysis | May 09, 2023 | A125005 |
C2302805 | Certificate of Analysis | Mar 15, 2023 | A125005 |
E1515004 | Certificate of Analysis | Nov 11, 2022 | A125005 |
C2302806 | Certificate of Analysis | May 31, 2022 | A125005 |
Solubility | DMSO ≥105mg/mL Water <1.2mg/mL Ethanol ≥6.5mg/mL |
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Sensitivity | Heat Sensitive |
Specific Rotation[α] | 69° (C=1,MeOH) |
Melt Point(°C) | 252 °C |
Pictogram(s) | GHS08, GHS09, GHS07 |
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Signal | Warning |
Hazard Statements | H319:Causes serious eye irritation H351:Suspected of causing cancer H373:Causes damage to organs through prolonged or repeated exposure H410:Very toxic to aquatic life with long lasting effects |
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. P405:Store locked up. P501:Dispose of contents/container to ... P260:Do not breathe dust/fume/gas/mist/vapors/spray. P391:Collect spillage. P203:Obtain, read and follow all safety instructions before use. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P318:if exposed or concerned, get medical advice. P337+P317:If eye irritation persists: Get medical help. P319:Get medical help if you feel unwell. |
Merck Index | 753 |
1. Zhen Wang, Jing Zou, Le Zhang, Hongru Liu, Bei Jiang, Yi Liang, Yuzhe Zhang. (2023) Comprehensive analysis of the progression mechanisms of CRPC and its inhibitor discovery based on machine learning algorithms. Frontiers in Genetics, 14 (1184704). [PMID:37476415] |
1. Hornby PJ. (2001) Central neurocircuitry associated with emesis.. Am J Med, 111 Suppl 8A (3): (106S-112S). [PMID:11749934] |
2. Zhen Wang, Jing Zou, Le Zhang, Hongru Liu, Bei Jiang, Yi Liang, Yuzhe Zhang. (2023) Comprehensive analysis of the progression mechanisms of CRPC and its inhibitor discovery based on machine learning algorithms. Frontiers in Genetics, 14 (1184704). [PMID:37476415] |