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

CAS: 68-94-0 Cat. No.: H108384 Summenformel: C₅H₄N₄O Molekulargewicht: 136.11 Beilstein Registry Number: 5811 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

Moligand™, ≥99%

Biochemische und physiologische Mechanismen

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

Storage

Store at 2-8°C

Verschickt in

Wet ice

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

Note

Moligand™

Hinweis

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.

Reinheit

≥99%

Product Line

H108384-5g

Namen und Kennungen

Pubchem Sid

488202823

Pubchem Sid Url

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

Kanonisches Lächeln

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)

Isomere SMILES

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

WGK Deutschland

3

RTECS

UP0791000

Molekulargewicht

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
    • Klasse Imidazopyrimidines
      • Subclass Purines and purine derivatives
        • Ebene5 Purinones
          • Ebene6 Hypoxanthines

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

Zugehörige Ziele (menschlich)

HPRT1 Tchem Hypoxanthine-guanine phosphoribosyltransferase (369 Activities)

Discover Target: HPRT1

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

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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Zugehörige Ziele (nicht menschlich)

Pnp Purine-nucleoside phosphorylase (70 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Pnp Purine nucleoside phosphorylase (4 Activities)

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Plasmodium falciparum (966862 Activities)

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Rattus norvegicus (775804 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)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: It does not mix appreciably with water (1:1400). Small octahedra crystals from water.
• Schmelzpunkt (°C): >300 °C
• Molekulargewicht: 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