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

CAS: 7390-62-7 Cat. No.: M337441 Formula: C₅H₅N₅S Peso molecolare: 167.19 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 528762850
• Sorrisi canonici: 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)
• Isomeri SMILES: C1=NC(=C2C(=N1)NC(=S)N2)N
• Peso molecolare: 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
    • Classe Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

Discover Target: PLK1

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HepG2 (196354 Activities)

Explore this target

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

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

Discover Target: KDM4A

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 370-375 °C
• Peso molecolare: 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