네모나프라이드 - 몰리간드™, ≥99%(HPLC) , Antagonist of D 2 receptor;Antagonist of D 3 receptor;Antagonist of D 4 receptor, CAS No.75272-39-8, Antagonist of D 2 receptor;Antagonist of D 3 receptor;Antagonist of D 4 receptor

CAS: 75272-39-8 Cat. No.: N287462 분자식: C₂₁H₂₆ClN₃O₂ 분자량: 387.91 EC 번호: 689-004-7

GRADE & PURITY Moligand™, ≥99%(HPLC)

Synonyms

PDSP2_001511 | (+/-)-cis-N-(1-Benzyl-2-methyl-3-pyrrolidinyl)-5-chloro-4-(methylamino)-o-anisamide | (+-)-cis-N-(1-Benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-methylaminobenzamide | 5-chloro-2-methoxy-4-methylamino-N-[(2R,3R)-2-methyl-1-(phenylme

Storage

실내 온도

Shipped In

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Specifications

동의어

PDSP2_001511 | (+/-)-cis-N-(1-Benzyl-2-methyl-3-pyrrolidinyl)-5-chloro-4-(methylamino)-o-anisamide | (+-)-cis-N-(1-Benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-methylaminobenzamide | 5-chloro-2-methoxy-4-methylamino-N-[(2R,3R)-2-methyl-1-(phenylme

사양 및 순도

몰리간드™, ≥99%(HPLC)

생화학 및 생리적 메커니즘

매우 강력한 도파민 D2 유사 수용체 길항제로, D1 유사 수용체에 선택적으로 작용합니다(키발값은 D2 유사 수용체와 D1 유사 수용체에 대해 각각 0.1 및 740 nM입니다). 또한 강력한 5-HT1 수용체 작용제(IC50= 34 nM)이며 시그마 수용체에 대한 친화력이 있습니다.

보관 조건

실내 온도

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보통

등급

Moligand™

작업 유형

ANTAGONIST

작동 메커니즘

Antagonist of D 2 receptor;Antagonist of D 3 receptor;Antagonist of D 4 receptor

순수함

≥99%(HPLC)

이름과 식별자

• 정식 스마일: CC1C(CCN1CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3OC)NC)Cl
• IUPAC Name: N-[(2R,3R)-1-benzyl-2-methylpyrrolidin-3-yl]-5-chloro-2-methoxy-4-(methylamino)benzamide
• InChIKey: KRVOJOCLBAAKSJ-RDTXWAMCSA-N
• INCHI: 1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m1/s1
• 이성체 SMILES: C[C@@H]1[C@@H](CCN1CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3OC)NC)Cl
• 대체 CAS: 187139-87-3,75272-39-8
• MeSH 용어: cis-N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-methylaminobenzamide;emonapride;nemonapride;nemonapride, (cis)-isomer;YM 09151-2;YM 09151-M;YM-09151-2
• 분자량: 387.91
• Reaxy-Rn: 8349928
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8349928&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Aminobenzoic acids and derivatives
          • Level6 Aminobenzamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Aminobenzoic acids and derivatives
• Direct Parent: Aminobenzamides
• Alternative Parents: 3-halobenzoic acids and derivatives Aminophenyl ethers Benzamides Methoxyanilines Anisoles Benzoyl derivatives Benzylamines Phenylmethylamines Methoxybenzenes Phenoxy compounds Phenylalkylamines Chlorobenzenes Alkyl aryl ethers Secondary alkylarylamines N-alkylpyrrolidines Aryl chlorides Secondary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aminobenzamide - Aminophenyl ether - Methoxyaniline - Benzamide - Phenylmethylamine - Phenol ether - Benzylamine - Phenoxy compound - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Anisole - Methoxybenzene - Chlorobenzene - Aralkylamine - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Halobenzene - N-alkylpyrrolidine - Aryl chloride - Aryl halide - Pyrrolidine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Secondary amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as aminobenzamides. These are organic compounds containing a benzamide moiety with an amine group attached to the benzene ring.
• External Descriptors: N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide

Data sources

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

관련 대상(인간)

DRD2 Tclin D(2) dopamine receptor (2 Activities)

Discover Target: DRD2

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

DRD4 Tchem D(4) dopamine receptor (2 Activities)

Discover Target: DRD4

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

TMEM97 Tchem Sigma intracellular receptor 2 (1 Activities)

Discover Target: TMEM97

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

DRD3 Tclin D(3) dopamine receptor (3 Activities)

Discover Target: DRD3

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

화학 및 물리적 특성

• 용해성: Solvent:ethanol, Max Conc. mg/mL: 7.76, Max Conc. mM: 20; Solvent:DMSO, Max Conc. mg/mL: 9.7, Max Conc. mM: 25
• 분자량: 387.900 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 387.171 Da
• Monoisotopic Mass: 387.171 Da
• Topological Polar Surface Area: 53.600 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 486.000
• 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: 1

자주 묻는 질문

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 75272-39-8, the molecular formula is C21H26ClN3O2, and the molecular weight is 387.91 g/mol. InChIKey KRVOJOCLBAAKSJ-RDTXWAMCSA-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.