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FK 888 - ≥98%(HPLC), high purity , CAS No.138449-07-7, Antagonist of NK 1 receptor;Antagonist of NK 2 receptor

COA

Grade & Purity:

Moligand™

≥98%(HPLC)

Cas Number: 138449-07-7
Molecular Weight: 588.69
PubChem CID: 107967

In stock

Item Number

F287031

Grouped product items
SKU	Size	Availability	Price
F287031-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$188.90
F287031-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$339.90
F287031-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$679.90
F287031-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,099.90

High affinity NK1antagonist

View related series

Class A GPCR (4138) GPCR/G Protein (3172) Neurokinin Receptor (49) Neuronal Signaling (3320) NK1 receptor Antagonist (30) NK2 receptor Antagonist (17)

Basic Description

Synonyms	DTXSID70160680 \| (4R)-4-Hydroxy-1-[(1-methyl-1H-indol-3-yl)carbonyl]-L-prolyl-N-methyl-3-(2-naphthalenyl)-N-(phenylmethyl)-L-alaninamide \| FK888 \| FK-888 \| FK 888 \| L-Alaninamide, (4R)-4-hydroxy-1-((1-methyl-1H-indol-3-yl)carbonyl)-L-prolyl-N-methyl-3-(2-
Specifications & Purity	Moligand™, ≥98%(HPLC)
Biochemical and Physiological Mechanisms	Selective, high affinity tachykinin NK1receptor antagonist (Ki= 0.69 nM) that displays 320-fold selectivity for human over rat NK1receptors. Inhibits substance P-induced contraction of isolated guinea pig trachea (IC50= 32 nM) and inhibits substance P-ind
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.
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of NK 1 receptor;Antagonist of NK 2 receptor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 N-acyl-alpha amino acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	N-acyl-alpha amino acids and derivatives
Alternative Parents	Alpha amino acid amides Indolecarboxamides and derivatives N-alkylindoles Naphthalenes Indoles Pyrrole carboxamides N-acylpyrrolidines Benzene and substituted derivatives N-methylpyrroles Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidic acids Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Indolecarboxamide derivative - Indolecarboxylic acid derivative - N-alkylindole - Naphthalene - Indole - Indole or derivatives - N-acylpyrrolidine - Pyrrole-3-carboxamide - Pyrrole-3-carboxylic acid or derivatives - N-methylpyrrole - Benzenoid - Monocyclic benzene moiety - Substituted pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous amide - Pyrrole - Pyrrolidine - Carboxamide group - Secondary alcohol - Organic 1,3-dipolar compound - Carboximidic acid derivative - Azacycle - Organoheterocyclic compound - Carboximidic acid - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors	Not available
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(Human)

TACR1 Tclin Substance-P receptor (1 Activities)

Discover Target: TACR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TACR2 Tchem Substance-K receptor (1 Activities)

Discover Target: TACR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

Discover Target: ALOX15B

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

Associated Targets(non-human)

Cruzipain (33337 Activities)

Explore this target

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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	(2S,4R)-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide
INCHI	InChI=1S/C36H36N4O4/c1-38-23-30(29-14-8-9-15-32(29)38)35(43)40-22-28(41)20-33(40)34(42)37-31(36(44)39(2)21-24-10-4-3-5-11-24)19-25-16-17-26-12-6-7-13-27(26)18-25/h3-18,23,28,31,33,41H,19-22H2,1-2H3,(H,37,42)/t28-,31+,33+/m1/s1
InChIKey	BFNKQTIJVFGCKQ-PDJGWCFMSA-N
Smiles	CN1C=C(C2=CC=CC=C21)C(=O)N3CC(CC3C(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)N(C)CC6=CC=CC=C6)O
Isomeric SMILES	CN1C=C(C2=CC=CC=C21)C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@@H](CC4=CC5=CC=CC=C5C=C4)C(=O)N(C)CC6=CC=CC=C6)O
PubChem CID	107967
Molecular Weight	588.69

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
B2513210	Certificate of Analysis	Sep 30, 2024	F287031
B2513211	Certificate of Analysis	Sep 30, 2024	F287031
B2513212	Certificate of Analysis	Sep 30, 2024	F287031
B2513213	Certificate of Analysis	Sep 30, 2024	F287031
B2513225	Certificate of Analysis	Sep 30, 2024	F287031
B2513226	Certificate of Analysis	Sep 30, 2024	F287031

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 58.87, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 58.87, Max Conc. mM: 100
Molecular Weight	588.700 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	588.274 Da
Monoisotopic Mass	588.274 Da
Topological Polar Surface Area	94.900 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1020.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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	1

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