Netupitant - Moligand™, ≥99% , Neurokinin 1 receptor antagonist, CAS No.290297-26-6, Neurokinin 1 receptor antagonist

Name: Netupitant - Moligand™, ≥99% , Neurokinin 1 receptor antagonist, CAS No.290297-26-6, Neurokinin 1 receptor antagonist
SKU: N413162
Availability: InStock

CAS: 290297-26-6 Cat. No.: N413162 분자식: C₃₀H₃₂F₆N₄O 분자량: 578.59 EC 번호: 978-555-1

COA

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Netupitant - Moligand™, ≥99% CAS No(290297-26-6) by Aladdin Scientific

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주문 가능

GRADE & PURITY Moligand™ ? ≥99%

Synonyms

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요 Specifications 제품 특성 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰

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Why this grade

Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

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

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Quality documents

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

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Literature proof

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

개요

Information

Netupitant Netupitant (CID6451149) is a selective neurokinin 1 (NK1) receptor antagonist with potential antiemetic activity.

Targets

Neurokinin-1 receptor

In vitro

In CHO NK1 cells, Netupitant concentration-dependently antagonizes the stimulatory effects of substance P (SP) showing insurmountable antagonism (pKB 8.87). In cells expressing NK2 or NK3 receptors, Netupitant is inactive.

In vivo

Netupitant behaves as a brain penetrant, orally active, potent and selective NK1 antagonist. In mice the intrathecal injection of SP elicited the typical scratching, biting and licking response that is dose-dependently inhibited by Netupitant given intraperitoneally in the 1-10 mg/kg dose range. In gerbils, foot tapping behavior evoked by the intracerebroventricular injection of a NK1 agonist is dose-dependently counteracted by Netupitant given intraperitoneally (ID50 1.5 mg/kg) or orally (ID50 0.5 mg/kg). In time course experiments in gerbils Netupitant displayed long lasting effects.

Cell Research(from reference)

Cell lines：NG108-15 cells

Concentrations：1, 3, 10, 30 nM

Incubation Time：1 h

Specifications

동의어

사양 및 순도

Moligand™, ≥99%

생화학 및 생리적 메커니즘

Netupitant (CID6451149) is a selective neurokinin 1 (NK1) receptor antagonist with potential antiemetic activity.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

등급

Moligand™

작업 유형

ANTAGONIST

작동 메커니즘

Neurokinin 1 receptor antagonist

순수함

≥99%

제품 특성

ALogP	6.8

이름과 식별자

Pubchem Sid	504764212
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504764212
정식 스마일	CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C
IUPAC Name	2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide
InChIKey	WAXQNWCZJDTGBU-UHFFFAOYSA-N
INCHI	1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3
이성체 SMILES	CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C
분자량	578.59
Reaxy-Rn	10314678
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10314678&ln=

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

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - 분류 Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
분류	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinylpiperazines
Alternative Parents	N-arylpiperazines Phenylpyridines Trifluoromethylbenzenes Phenylacetamides Phenylpropanes Dialkylarylamines Toluenes N-methylpiperazines Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-arylpiperazine - 4-phenylpyridine - Pyridinylpiperazine - Phenylacetamide - Trifluoromethylbenzene - Phenylpropane - Dialkylarylamine - Toluene - N-alkylpiperazine - N-methylpiperazine - Aminopyridine - Pyridine - Imidolactam - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Alkyl fluoride - Aromatic heteromonocyclic compound
설명	This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
External Descriptors	organofluorine compound - N-arylpiperazine - monocarboxylic acid amide - ring assembly - N-alkylpiperazine - toluenes - aminopyridine
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

3D 구조

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리뷰

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Lot Number	Certificate Type	날짜	항목
C23031020	Certificate of Analysis	Oct 18, 2022	N413162
C23031043	Certificate of Analysis	Oct 18, 2022	N413162
C23031066	Certificate of Analysis	Oct 18, 2022	N413162
C23031067	Certificate of Analysis	Oct 18, 2022	N413162

용해성	Solubility (25°C) In vitro Ethanol: 100 mg/mL (172.83 mM); DMSO: 14 mg/mL (24.19 mM); Water: Insoluble;
분자량	578.600 g/mol
XLogP3	6.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	578.248 Da
Monoisotopic Mass	578.248 Da
Topological Polar Surface Area	39.700 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	865.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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