WL-231219 - Moligand™,≥97% , CAS No.842955-63-9

CAS: 842955-63-9 Cat. No.: W418424 Summenformel: C₁₀H₁₂N₄O₂ Molekulargewicht: 220.23 EG-Nummer: 828-902-7 PubChem CID: 1092114

GRADE & PURITY Moligand™, ≥97%

Synonyms

ChemDiv2_003005 | SMR000067803 | HMS2338I05 | DTXSID00360232 | MLS000120706 | AKOS000200502 | WL-231219 | BB 0219074 | VU0176652-4 | 3-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-propionic acid | [1,2,4]Triazolo[1,5-a]pyrimidine-6-propanoic acid,

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

inhibitors of parasitic histone deacetylase (PfHDAC)

Specifications

Synonyme

ChemDiv2_003005 | SMR000067803 | HMS2338I05 | DTXSID00360232 | MLS000120706 | AKOS000200502 | WL-231219 | BB 0219074 | VU0176652-4 | 3-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-propionic acid | [1,2,4]Triazolo[1,5-a]pyrimidine-6-propanoic acid,

Spezifikationen & Reinheit

Moligand™,≥97%

Storage

Protected from light,Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Note

Moligand™

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: CC1=C(C(=NC2=NC=NN12)C)CCC(=O)O
• IUPAC Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
• InChIKey: NWSSSDXVQWXROX-UHFFFAOYSA-N
• INCHI: 1S/C10H12N4O2/c1-6-8(3-4-9(15)16)7(2)14-10(13-6)11-5-12-14/h5H,3-4H2,1-2H3,(H,15,16)
• Isomere SMILES: CC1=C(C(=NC2=NC=NN12)C)CCC(=O)O
• PubChem CID: 1092114
• Molekulargewicht: 220.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Triazolopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Triazolopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazolopyrimidines
• Alternative Parents: Pyrimidines and pyrimidine derivatives Triazoles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triazolopyrimidine - Pyrimidine - Azole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light & Moisture sensitive
• Molekulargewicht: 220.230 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 220.096 Da
• Monoisotopic Mass: 220.096 Da
• Topological Polar Surface Area: 80.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 274.000
• 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