CL-406156 - ≥98% , CAS No.91324-16-2

CAS: 91324-16-2 Cat. No.: C418287 分子式: C₁₉H₂₂N₂O₂ 分子量: 310.39

GRADE & PURITY ≥98%

Synonyms

1-(9H-carbazol-9-yl)-3-(morpholin-4-yl)propan-2-ol | 1-(9H-carbazol-9-yl)-3-(4-morpholinyl)-2-propanol | CL-406156 | AKOS000581614 | Cambridge id 5236856 | NCGC00246630-01 | alpha-(4-Morpholinylmethyl)-9H-carbazole-9-ethanol | HMS1671M15 | AE-641/05526043

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

DNA Methyltransferase 1 Inhibitors

Specifications

同義語

1-(9H-carbazol-9-yl)-3-(morpholin-4-yl)propan-2-ol | 1-(9H-carbazol-9-yl)-3-(4-morpholinyl)-2-propanol | CL-406156 | AKOS000581614 | Cambridge id 5236856 | NCGC00246630-01 | alpha-(4-Morpholinylmethyl)-9H-carbazole-9-ethanol | HMS1671M15 | AE-641/05526043

仕様と純度

≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

製品の性質

• ALogP: 2.844
• hba_count: 1
• HBD数: 1
• 回転可能な結合: 4

名前と識別子

• パブケム・シド: 504753689
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504753689
• カノニカル・スマイル: C1COCCN1CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O
• IUPAC Name: 1-carbazol-9-yl-3-morpholin-4-ylpropan-2-ol
• InChIKey: HACSALNKWCJCSD-UHFFFAOYSA-N
• INCHI: 1S/C19H22N2O2/c22-15(13-20-9-11-23-12-10-20)14-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1-8,15,22H,9-14H2
• 異性体SMILES: C1COCCN1CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O
• 分子量: 310.39
• Reaxy-Rn: 5599726
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5599726&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: N-alkylindoles Indoles Substituted pyrroles Morpholines Benzenoids Heteroaromatic compounds Trialkylamines Secondary alcohols 1,2-aminoalcohols Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - N-alkylindole - Indole - Morpholine - Oxazinane - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Dialkyl ether - Ether - Oxacycle - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Alcohol - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• 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

関連ターゲット（人間）

DNMT1 Tclin DNA (cytosine-5)-methyltransferase 1 (978 Activities)

Discover Target: DNMT1

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

ATM Tchem Serine-protein kinase ATM (4198 Activities)

Discover Target: ATM

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

関連ターゲット（非人間）

Saccharomyces cerevisiae (19171 Activities)

Explore this target

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• DMSO（mM） 最大溶解度: 10
• 分子量: 310.400 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 310.168 Da
• Monoisotopic Mass: 310.168 Da
• Topological Polar Surface Area: 37.600 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 364.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1