Org 25543 hydrochloride - ≥99%(HPLC) , CAS No.495076-64-7

CAS: 495076-64-7 Cat. No.: O287212 분자식: C₂₄H₃₂lN₂O₄.HCl 분자량: 448.98

GRADE & PURITY ≥99%(HPLC)

Synonyms

N-[[1-(Dimethylamino)cyclopentyl]methyl]-3,5-dimethoxy-4-(phenylmethoxy)benzamide hydrochloride

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

동의어

N-[[1-(Dimethylamino)cyclopentyl]methyl]-3,5-dimethoxy-4-(phenylmethoxy)benzamide hydrochloride

사양 및 순도

≥99%(HPLC)

생화학 및 생리적 메커니즘

Potent and selective glycine transporter type 2 (GlyT2) inhibitor (IC50= 16 nM for hGlyT2). Displays no activity at GlyT1 or 56 other common biological targets (≥ 100μM), in a glycine uptake assay in CHO cells. Ameliorates mechanical allodynia after part

보관 조건

Room temperature,Desiccated

배송

Normal

작업 유형

INHIBITOR

순수함

≥99%(HPLC)

이름과 식별자

• 정식 스마일: CN(C)C1(CCCC1)CNC(=O)C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC.Cl
• IUPAC Name: N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide;hydrochloride
• InChIKey: NIPQJILJYQVZJR-UHFFFAOYSA-N
• INCHI: 1S/C24H32N2O4.ClH/c1-26(2)24(12-8-9-13-24)17-25-23(27)19-14-20(28-3)22(21(15-19)29-4)30-16-18-10-6-5-7-11-18;/h5-7,10-11,14-15H,8-9,12-13,16-17H2,1-4H3,(H,25,27);1H
• 이성체 SMILES: CN(C)C1(CCCC1)CNC(=O)C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC.Cl
• 분자량: 448.98
• Reaxy-Rn: 32831423
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32831423&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Benzamides Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Dimethoxybenzene - M-dimethoxybenzene - Benzamide - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Ether - Carboxylic acid derivative - Organic oxide - Hydrochloride - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• External Descriptors: Not available

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

화학 및 물리적 특성

• 용해성: Solvent:water, Max Conc. mg/mL: 8.98, Max Conc. mM: 20; Solvent:DMSO, Max Conc. mg/mL: 44.9, Max Conc. mM: 100
• 분자량: 449.000 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 448.213 Da
• Monoisotopic Mass: 448.213 Da
• Topological Polar Surface Area: 60.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 515.000
• 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: 2

XLogP3

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.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 495076-64-7, the molecular formula is C??H??lN?O?.HCl, and the molecular weight is 448.98 g/mol. InChIKey NIPQJILJYQVZJR-UHFFFAOYSA-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.