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NTRC 824 - ≥98%(HPLC), high purity , CAS No.1623002-61-8

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 1623002-61-8
Molecular Weight: 553.55
PubChem CID: 101873359

In stock

Item Number

N287578

Grouped product items
SKU	Size	Availability	Price
N287578-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$166.90
N287578-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$256.90
N287578-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$577.90
N287578-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,078.90

Potent and selective non-peptide NTS2antagonist

View related series

Class A GPCR (4138) GPCR/G Protein (3172) Neuronal Signaling (3320) Neurotensin Receptor (19)

Basic Description

Synonyms	N-[2-[5-[[(4-Methylphenyl)sulfonyl]amino]-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetyl]-L-leucine
Specifications & Purity	≥98%(HPLC)
Biochemical and Physiological Mechanisms	Potent and selective non-peptide neurotensin (NTS) type-2 receptor antagonist (IC50= 38 nM). Exhibits >150-fold selectivity for NTS2over NTS1.
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.
Product Description	Product description： NTRC-824 (Compound 5) is a potent, selective and neurotensin-like nonpeptide neurotensin receptor type 2 (NTS2) antagonist with an IC50 of 38 nM and a Ki of 202 nM. NTRC-824 is >150-fold selectivity for NTS2 over NTS1 (Ki >30 μM).

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 Leucine 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	Leucine and derivatives
Alternative Parents	N-acyl-L-alpha-amino acids P-toluenesulfonamides Sulfanilides N-alkylindoles Benzenesulfonamides Indoles Benzenesulfonyl compounds Aryl alkyl ketones Substituted pyrroles Organosulfonamides Vinylogous amides Alpha-haloketones Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Alkyl fluorides Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organofluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Leucine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - P-toluenesulfonamide - Benzenesulfonamide - Sulfanilide - N-alkylindole - Tosyl compound - Benzenesulfonyl group - Indole - Indole or derivatives - Aryl ketone - Aryl alkyl ketone - Toluene - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Substituted pyrrole - Alpha-haloketone - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Ketone - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organosulfur compound - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
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)

NTSR2 Tchem Neurotensin receptor 2 (296 Activities)

Discover Target: NTSR2

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

Associated Targets(non-human)

Ntsr1 Neurotensin receptor 1 (48 Activities)

Discover Target: Ntsr1

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

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)-4-methyl-2-[[2-[5-[(4-methylphenyl)sulfonylamino]-3-(2,2,2-trifluoroacetyl)indol-1-yl]acetyl]amino]pentanoic acid
INCHI	InChI=1S/C25H26F3N3O6S/c1-14(2)10-20(24(34)35)29-22(32)13-31-12-19(23(33)25(26,27)28)18-11-16(6-9-21(18)31)30-38(36,37)17-7-4-15(3)5-8-17/h4-9,11-12,14,20,30H,10,13H2,1-3H3,(H,29,32)(H,34,35)/t20-/m0/s1
InChIKey	SOOLLEBJNGCDOZ-FQEVSTJZSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C=C3C(=O)C(F)(F)F)CC(=O)NC(CC(C)C)C(=O)O
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C=C3C(=O)C(F)(F)F)CC(=O)N[C@@H](CC(C)C)C(=O)O
PubChem CID	101873359
Molecular Weight	553.55

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 55.35, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 55.35, Max Conc. mM: 100
Molecular Weight	553.600 g/mol
XLogP3	4.500
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Exact Mass	553.149 Da
Monoisotopic Mass	553.149 Da
Topological Polar Surface Area	143.000 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	976.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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