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

CAS: 1623002-61-8 Cat. No.: N287578 分子式: C25H26F3N3O6S 分子量: 553.55 PubChem CID: 101873359
注文可能
GRADE & PURITY ≥98%(HPLC)
Synonyms
N-[2-[5-[[(4-Methylphenyl)sulfonyl]amino]-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetyl]-L-leucine
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
ドイツ (EU)*
Price
Qty
5mg
N287578-5mg
受注生産 · 8~12週間
$599.90
10mg
N287578-10mg
受注生産 · 8~12週間
$989.90
25mg
N287578-25mg
受注生産 · 8~12週間
$1,999.90
50mg
N287578-50mg
受注生産 · 8~12週間
$3,199.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

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).


Specifications

同義語
N-[2-[5-[[(4-Methylphenyl)sulfonyl]amino]-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetyl]-L-leucine
仕様と純度
≥98%(HPLC)
生化学的・生理学的メカニズム
Potent and selective non-peptide neurotensin (NTS) type-2 receptor antagonist (IC50= 38 nM). Exhibits >150-fold selectivity for NTS2over NTS1.
保管条件
Store at -20°C
入荷
Ice chest + Ice pads
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
アクションタイプ
ANTAGONIST
純度
≥98%(HPLC)
名前と識別子
カノニカル・スマイル
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
IUPAC Name
(2S)-4-methyl-2-[[2-[5-[(4-methylphenyl)sulfonylamino]-3-(2,2,2-trifluoroacetyl)indol-1-yl]acetyl]amino]pentanoic acid
InChIKey
SOOLLEBJNGCDOZ-FQEVSTJZSA-N
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
異性体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
分子量
553.55

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
分類Carboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives
Direct ParentLeucine 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 FrameworkAromatic 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
説明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
3 D構造
インタラクティブ化学構造モデル





関連ターゲット(人間)
NTSR2 Tchem Neurotensin receptor 2 (296 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
関連ターゲット(非人間)
Ntsr1 Neurotensin receptor 1 (48 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
溶解度Solvent:DMSO, Max Conc. mg/mL: 55.35, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 55.35, Max Conc. mM: 100
分子量553.600 g/mol
XLogP34.500
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass553.149 Da
Monoisotopic Mass553.149 Da
Topological Polar Surface Area143.000 Ų
Heavy Atom Count38
Formal Charge0
Complexity976.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
ソリューション計算機
レビュー

顧客レビュー

よくある質問

What is the purity of this product, and how is it determined?
This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.
How is this product shipped?
This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 1623002-61-8, the molecular formula is C??H??F?N?O?S, and the molecular weight is 553.55 g/mol. InChIKey SOOLLEBJNGCDOZ-FQEVSTJZSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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