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Small Molecules & Compound Libraries
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GPCR/G Protein
Neurokinin Receptor
GR 203040 - ≥98%(HPLC), high purity , CAS No.168398-02-5

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GR 203040 - ≥98%(HPLC), high purity , CAS No.168398-02-5

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 168398-02-5
Molecular Weight: 437.37
PubChem CID: 127943

In stock

Item Number

G287642

Grouped product items
SKU	Size	Availability	Price	Qty
G287642-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$106.90
G287642-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$412.90

Potent and selective NK1antagonist

View related series

Class A GPCR (4138)

Basic Description

Synonyms	SCHEMBL8529468 \| (2-Methoxy-5-tetrazol-1-ylbenzyl)(2-phenylpiperidin-3-yl)amine \| UYDCUPIPQXAELR-OINVMNEBSA-N \| AKOS030566080 \| BG166435 \| 168398-02-5 (HCl) \| GR-203040 hydrochloride \| DTXSID60937484 \| 3-Piperidinamine, N-((2-methoxy-5-(1H-tetrazol-1-yl)p
Specifications & Purity	≥98%(HPLC)
Biochemical and Physiological Mechanisms	Potent and selective NK1receptor antagonist. Potently inhibits substance P binding to NK1receptors (pKi = 10.1 to 10.5). Displays antiemetic activityin vivo.
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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Phenylpiperidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Phenylpiperidines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpiperidines
Alternative Parents	Phenyltetrazoles and derivatives Methoxyanilines Phenylmethylamines Phenoxy compounds Methoxybenzenes Anisoles Benzylamines Alkyl aryl ethers Aminopiperidines Aralkylamines Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organopnictogen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpiperidine - Phenyltetrazole - Methoxyaniline - Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Phenoxy compound - Methoxybenzene - Aralkylamine - Alkyl aryl ether - 3-aminopiperidine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Tetrazole - Azole - Secondary amine - Azacycle - Secondary aliphatic amine - Ether - Organopnictogen compound - Organonitrogen compound - Amine - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
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 (2 Activities)

Discover Target: TACR1

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

TACR1 Tclin Neurokinin 1 receptor (6273 Activities)

Discover Target: TACR1

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,3S)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
INCHI	InChI=1S/C20H24N6O.2ClH/c1-27-19-10-9-17(26-14-23-24-25-26)12-16(19)13-22-18-8-5-11-21-20(18)15-6-3-2-4-7-15;;/h2-4,6-7,9-10,12,14,18,20-22H,5,8,11,13H2,1H3;2*1H/t18-,20-;;/m0../s1
InChIKey	UYDCUPIPQXAELR-OINVMNEBSA-N
Smiles	COC1=C(C=C(C=C1)N2C=NN=N2)CNC3CCCNC3C4=CC=CC=C4.Cl.Cl
Isomeric SMILES	COC1=C(C=C(C=C1)N2C=NN=N2)CN[C@H]3CCCN[C@H]3C4=CC=CC=C4.Cl.Cl
WGK Germany	3
PubChem CID	127943
Molecular Weight	437.37

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Solvent:water, Max Conc. mg/mL: 8.75, Max Conc. mM: 20; Solvent:DMSO, Max Conc. mg/mL: 8.75, Max Conc. mM: 20
Molecular Weight	437.400 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	436.155 Da
Monoisotopic Mass	436.155 Da
Topological Polar Surface Area	76.900 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	446.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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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