Hypoxanthine - Moligand™, ≥99% , CAS No.68-94-0

CAS: 68-94-0 Cat. No.: H108384 Formula: C₅H₄N₄O Peso molecolare: 136.11 Beilstein Registry Number: 5811 Numero EC: 200-697-3

GRADE & PURITY Moligand™, ≥99%

Synonyms

3h-hypoxanthine | 6-Hydroxy-1H-purine | CAS-68-94-0 | Purin-6(1H)-one | 7H-Purin-6-ol | GTPL4555 | PDSP2_000297 | Spectrum_001417 | 9H-Purin-6(1H)-one | Hypoxanthine (VAN) | 6H-Purin-6-one, 1,9-dihydro- | NSC 14665 | STK804424 | AKOS000267572 | BBL027735

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

3h-hypoxanthine | 6-Hydroxy-1H-purine | CAS-68-94-0 | Purin-6(1H)-one | 7H-Purin-6-ol | GTPL4555 | PDSP2_000297 | Spectrum_001417 | 9H-Purin-6(1H)-one | Hypoxanthine (VAN) | 6H-Purin-6-one, 1,9-dihydro- | NSC 14665 | STK804424 | AKOS000267572 | BBL027735

Specifiche e purezza

Moligand™, ≥99%

Meccanismi biochimici e fisiologici

Purine derivative. Inosine metabolite. Extracellular modulatory signal. Ischemia marker. Shows neuroprotective anti-inflammatory and trophic effects in vivo.

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purezza

≥99%

Product Line

H108384-5g

Nomi e identificatori

Pubchem Sid

488202823

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488202823

Sorrisi canonici

C1=NC2=C(N1)C(=O)NC=N2

IUPAC Name

1,7-dihydropurin-6-one

InChIKey

FDGQSTZJBFJUBT-UHFFFAOYSA-N

INCHI

1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)

Isomeri SMILES

C1=NC2=C(N1)C(=O)NC=N2

WGK Germania

3

RTECS

UP0791000

Peso molecolare

136.11

Beilstein

5811

Reaxy-Rn

5811

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5811&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Imidazopyrimidines
      • Subclass Purines and purine derivatives
        • Level5 Purinones
          • Level6 Hypoxanthines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Purinones
• Direct Parent: Hypoxanthines
• Alternative Parents: 6-oxopurines Pyrimidones Vinylogous amides Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-oxopurine - Hypoxanthine - Pyrimidone - Pyrimidine - Azole - Imidazole - Vinylogous amide - Heteroaromatic compound - Azacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
• External Descriptors: a purine-related compound - a purine base

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

Obiettivi associati (umani)

HPRT1 Tchem Hypoxanthine-guanine phosphoribosyltransferase (369 Activities)

Discover Target: HPRT1

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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CCRF-CEM (65223 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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Pnp Purine-nucleoside phosphorylase (70 Activities)

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Pnp Purine nucleoside phosphorylase (4 Activities)

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Plasmodium falciparum (966862 Activities)

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L1210 (27553 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

Discover Target: fba

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: It does not mix appreciably with water (1:1400). Small octahedra crystals from water.
• Punto di fusione (°C): >300 °C
• Peso molecolare: 136.110 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 136.039 Da
• Monoisotopic Mass: 136.039 Da
• Topological Polar Surface Area: 70.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 190.000
• 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