8-Mercaptoadenine - ≥98% , CAS No.7390-62-7

CAS: 7390-62-7 Cat. No.: M337441 Summenformel: C₅H₅N₅S Molekulargewicht: 167.19 EG-Nummer: 230-974-4

GRADE & PURITY ≥98%

Synonyms

6-azanyl-9~{H}-purine-8-thiol | cid_5354970 | NSC-22721 | AKOS005746855 | UNII-V1VHB7IV58 | 6-Amino-8-mercaptopurine | (+-)-Carnitine hydrochloride | Oprea1_673084 | RCRA waste no. P030 | AS-39433 | 6-amino-8-purinethiol | meradin | Oprea1_641664 | 8H-PUR

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

6-azanyl-9~{H}-purine-8-thiol | cid_5354970 | NSC-22721 | AKOS005746855 | UNII-V1VHB7IV58 | 6-Amino-8-mercaptopurine | (+-)-Carnitine hydrochloride | Oprea1_673084 | RCRA waste no. P030 | AS-39433 | 6-amino-8-purinethiol | meradin | Oprea1_641664 | 8H-PUR

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%

Namen und Kennungen

• Pubchem Sid: 528762850
• Kanonisches Lächeln: C1=NC(=C2C(=N1)NC(=S)N2)N
• IUPAC Name: 6-amino-7,9-dihydropurine-8-thione
• InChIKey: BHVOFCPOXNYVCE-UHFFFAOYSA-N
• INCHI: 1S/C5H5N5S/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H4,6,7,8,9,10,11)
• Isomere SMILES: C1=NC(=C2C(=N1)NC(=S)N2)N
• Molekulargewicht: 167.19
• Reaxy-Rn: 151790
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=151790&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Purinethiones
• Alternative Parents: 6-aminopurines Aminopyrimidines and derivatives Imidolactams Imidazolethiones Imidazoles Heteroaromatic compounds Thioureas Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-aminopurine - Purinethione - Aminopyrimidine - Imidazole-2-thione - Imidolactam - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Thiourea - Azacycle - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Primary amine - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as purinethiones. These are purines in which the purine moiety bears a thioketone.
• 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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PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

Discover Target: PLK1

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HepG2 (196354 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 370-375 °C
• Molekulargewicht: 167.190 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 167.027 Da
• Monoisotopic Mass: 167.027 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 184.000
• 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