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Small Molecules & Compound Libraries
Signaling Pathways
GPCR/G Protein
Neurokinin Receptor
Fosaprepitant dimeglumine salt - ≥99%, high purity , Neurokinin 1 receptor antagonist, CAS No.265121-04-8, Neurokinin 1 receptor antagonist

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Fosaprepitant dimeglumine salt - ≥99%, high purity , Neurokinin 1 receptor antagonist, CAS No.265121-04-8, Neurokinin 1 receptor antagonist

COA

Grade & Purity:

≥99%

Cas Number: 265121-04-8
Molecular Weight: 1004.83
PubChem CID: 135564864

In stock

Item Number

F129424

Grouped product items
SKU	Size	Availability	Price
F129424-5mg	5mg	3	$53.90
F129424-10mg	10mg	2	$73.90
F129424-50mg	50mg	3	$266.90
F129424-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$444.90

View related series

Class A GPCR (4138) GPCR/G Protein (3172) Neurokinin Receptor (49) Neuronal Signaling (3320)

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
Specifications & Purity	≥99%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Action Type	ANTAGONIST
Mechanism of action	Neurokinin 1 receptor antagonist
Product Description	Fosaprepitant is a water-soluble phosphoryl prodrug for Aprepitant which is a NK1 antagonist.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Oxazinanes
    - Subclass Morpholines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxazinanes
Subclass	Morpholines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylmorpholines
Alternative Parents	Trifluoromethylbenzenes Aralkylamines Fluorobenzenes Aryl fluorides Monosaccharides Triazoles 1,3-aminoalcohols Heteroaromatic compounds Trialkylamines Secondary alcohols 1,2-aminoalcohols Polyols Acetals Oxacyclic compounds Azacyclic compounds Dialkylamines Primary alcohols Alkyl fluorides Organopnictogen compounds Organofluorides Organic zwitterions Hydrocarbon derivatives Organic salts Organic oxides
Molecular Framework	Not available
Substituents	Phenylmorpholine - Trifluoromethylbenzene - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Monosaccharide - Benzenoid - 1,3-aminoalcohol - Azole - Heteroaromatic compound - 1,2,4-triazole - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Secondary amine - Azacycle - Polyol - Oxacycle - Secondary aliphatic amine - Acetal - Organic salt - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Organic zwitterion - Primary alcohol - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
External Descriptors	organoammonium salt
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

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
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;21-8-2-4(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);24-13H,2-3H2,1H3/t12-,19+,20-;2*4-,5+,6+,7+/m100/s1
InChIKey	VRQHBYGYXDWZDL-OOZCZQCLSA-N
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
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
Alternate CAS	172673-20-0
PubChem CID	135564864
Molecular Weight	1004.83

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot Number	Certificate Type	Date	Item
G1521066	Certificate of Analysis	Feb 03, 2023	F129424

Chemical and Physical Properties

Solubility	DMSO 201 mg/mL Water 135 mg/mL Ethanol
Molecular Weight	1004.800 g/mol
XLogP3
Hydrogen Bond Donor Count	15
Hydrogen Bond Acceptor Count	27
Rotatable Bond Count	19
Exact Mass	1004.34 Da
Monoisotopic Mass	1004.34 Da
Topological Polar Surface Area	350.000 Å²
Heavy Atom Count	67
Formal Charge	0
Complexity	1130.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	3

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