WAY-601673 - 10mM in DMSO , CAS No.380192-95-0

CAS: 380192-95-0 Cat. No.: W423730 분자식: C₂₀H₂₆ClN₃O 분자량: 359.89294 PubChem CID: 1276145

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

HIF PHD inhibitor; Prolylhydroxylase inhibitor;

Specifications

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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제품 특성

ALogP

3.278

HBD 수

1

회전 가능한 결합

1

이름과 식별자

정식 스마일

CC1(CC(CC(N1)(C)C)N2CC3=CC(=C4C=CC=NC4=C3OC2)Cl)C

IUPAC Name

6-chloro-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine

InChIKey

SYJYOXCDRAMZEG-UHFFFAOYSA-N

INCHI

1S/C20H26ClN3O/c1-19(2)9-14(10-20(3,4)23-19)24-11-13-8-16(21)15-6-5-7-22-17(15)18(13)25-12-24/h5-8,14,23H,9-12H2,1-4H3

이성체 SMILES

CC1(CC(CC(N1)(C)C)N2CC3=CC(=C4C=CC=NC4=C3OC2)Cl)C

PubChem CID

1276145

분자량

359.89294

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: Chloroquinolines
• Alternative Parents: Benzoxazines Pyridines and derivatives Piperidines Benzenoids Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - Benzoxazine - Aryl chloride - Aryl halide - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Secondary aliphatic amine - Oxacycle - Secondary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms.
• 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

관련 대상(비인간)

Trypanosoma brucei brucei (13300 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• DMSO(mM) 최대 용해도: 10
• 분자량: 359.900 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 359.176 Da
• Monoisotopic Mass: 359.176 Da
• Topological Polar Surface Area: 37.400 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 481.000
• 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 ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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

The CAS Number is 380192-95-0, the molecular formula is C20H26ClN3O, and the molecular weight is 359.89294 g/mol. InChIKey SYJYOXCDRAMZEG-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.