ML 418 - ≥98%(HPLC) , CAS No.1928763-08-9

CAS: 1928763-08-9 Cat. No.: M288090 분자식: C₁₉H₂₄CIN₃O₃ 분자량: 377.87

GRADE & PURITY ≥98%(HPLC)

Synonyms

이소프로필(1-((5-클로로-8-하이드록시퀴놀린-7-일)메틸)피페리딘-4-일)카바메이트

Storage

20°C에서 보관

Shipped In

아이스 박스 + 아이스 패드

개요

제품 설명: 제품 설명

ML418은 강력하고 선택적이며 CNS를 관통하는 Kir7.1 칼륨 채널 차단제입니다. ML418은 0.31 μM의 IC50 값으로 Kir7.1을 억제합니다. ML418은 신경계, 심혈관, 내분비 및 근육 질환 연구에 사용될 수 있습니다.

Specifications

동의어

이소프로필(1-((5-클로로-8-하이드록시퀴놀린-7-일)메틸)피페리딘-4-일)카바메이트

사양 및 순도

≥98%(HPLC)

생화학 및 생리적 메커니즘

Kir7.1 억제제(IC50= 0.31 μM). 유사한 효능으로 Kir6.2도 억제합니다. Kir1.1, Kir2.1, Kir2.2, Kir2.3, Kir3.1/3.2 및 Kir4.1에 비해 Kir7.1에 대해 17배 이상의 선택성을 나타냅니다. 생체 내 활성.

보관 조건

20°C에서 보관

배송

아이스 박스 + 아이스 패드

작업 유형

ANTAGONIST

순수함

≥98%(HPLC)

이름과 식별자

• Pubchem Sid: 488202514
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202514
• 정식 스마일: CC(C)OC(=O)NC1CCN(CC1)CC2=CC(=C3C=CC=NC3=C2O)Cl
• IUPAC Name: propan-2-yl N-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]carbamate
• InChIKey: CWIXCQOSULUGBT-UHFFFAOYSA-N
• INCHI: 1S/C19H24ClN3O3/c1-12(2)26-19(25)22-14-5-8-23(9-6-14)11-13-10-16(20)15-4-3-7-21-17(15)18(13)24/h3-4,7,10,12,14,24H,5-6,8-9,11H2,1-2H3,(H,22,25)
• 이성체 SMILES: CC(C)OC(=O)NC1CCN(CC1)CC2=CC(=C3C=CC=NC3=C2O)Cl
• 분자량: 377.87
• Reaxy-Rn: 29754419
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29754419&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Haloquinolines
• Alternative Parents: 8-hydroxyquinolines Methylpyridines Aralkylamines Piperidines Benzenoids Heteroaromatic compounds Carbamate esters Trialkylamines Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - 8-hydroxyquinoline - Methylpyridine - Aralkylamine - Benzenoid - Pyridine - Piperidine - Heteroaromatic compound - Carbamic acid ester - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen atom.
• 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:DMSO, Max Conc. mg/mL: 7.56, Max Conc. mM: 20
• 분자량: 377.900 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 377.151 Da
• Monoisotopic Mass: 377.151 Da
• Topological Polar Surface Area: 74.700 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 471.000
• 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

자주 묻는 질문

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

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 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 1928763-08-9, the molecular formula is C19H24CIN3O3, and the molecular weight is 377.87 g/mol. InChIKey CWIXCQOSULUGBT-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.