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

CAS: 7390-62-7 Cat. No.: M337441 分子式: C₅H₅N₅S 分子量: 167.19 EC番号: 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

同義語

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

仕様と純度

≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• パブケム・シド: 528762850
• カノニカル・スマイル: 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)
• 異性体SMILES: C1=NC(=C2C(=N1)NC(=S)N2)N
• 分子量: 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
    • 分類 Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 370-375 °C
• 分子量: 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