CL-406156 - ≥98% , CAS No.91324-16-2

CAS: 91324-16-2 Cat. No.: C418287 Summenformel: C₁₉H₂₂N₂O₂ Molekulargewicht: 310.39

QUALITÄT & REINHEIT ≥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|Cambridge id 5236856|alpha-(4-Morpholinylmethyl)-9H-carbazole-9-ethanol|1-Carbazol-9-yl-3-morpholin-4-yl-propan-2-ol|1-carbazol-9-yl-3-morpholin-4-ylpropan-2-ol|9H-CARBAZOLE-9-ETHANOL, alpha-(4-MORPHOLINYLMETHYL)-|1-(9H-carbazol-9-yl)-3-morpholinopropan-2-ol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

DNA Methyltransferase 1 Inhibitors

Spezifikationen

Synonyme

1-(9H-carbazol-9-yl)-3-(morpholin-4-yl)propan-2-ol | 1-(9H-carbazol-9-yl)-3-(4-morpholinyl)-2-propanol | CL-406156 | Cambridge id 5236856 | alpha-(4-Morpholinylmethyl)-9H-carbazole-9-ethanol | 1-Carbazol-9-yl-3-morpholin-4-yl-propan-2-ol | 1-carbazol-9-yl-3-morpholin-4-ylpropan-2-ol | 9H-CARBAZOLE-9-ETHANOL, alpha-(4-MORPHOLINYLMETHYL)- | Show more

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Produkteigenschaften

ALogP

2.844

hba_count

1

HBD-Zahl

1

Rotationsfähige Bindung

4

Namen und Kennungen

Pubchem Sid

504753689

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753689

Kanonisches Lächeln

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

Isomere SMILES

C1COCCN1CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O

Molekulargewicht

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
    • Klasse Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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

Zugehörige Ziele (nicht menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 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