Purine - 10mM in DMSO , CAS No.120-73-0

CAS: 120-73-0 Cat. No.: P420911 分子式: C₅H₄N₄ 分子量: 120.11 Beilstein Registry Number: 3200 EC番号: 204-421-2 PubChem CID: 1044

GRADE & PURITY 10mM in DMSO

Synonyms

EINECS 204-421-2 | Imidazo(4,5-d)pyrimidine | s6359 | {6H-Imidazo[4,5-d]pyrimidine} | 3H-purine | AKOS015913555 | CHEBI:17258 | Imidazo[4,5-d]pyrimidine | Purine | CHEBI:35586 | UNII-W60KTZ3IZY | 9H-Purine | NSC 753 | AM20080144 | SY064527 | Purine, 98% |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

Purine is a heterocyclic organic compound constituting a pyrimidine ring fused to an imidazole ring.

Purine can undergo direct C-H functionalization in the presence of palladium catalyst to form various biologically important products.

Specifications

同義語

EINECS 204-421-2 | Imidazo(4,5-d)pyrimidine | s6359 | {6H-Imidazo[4,5-d]pyrimidine} | 3H-purine | AKOS015913555 | CHEBI:17258 | Imidazo[4,5-d]pyrimidine | Purine | CHEBI:35586 | UNII-W60KTZ3IZY | 9H-Purine | NSC 753 | AM20080144 | SY064527 | Purine, 98% |

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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。

名前と識別子

パブケム・シド

528770952

カノニカル・スマイル

C1=C2C(=NC=N1)N=CN2

IUPAC Name

7H-purine

InChIKey

KDCGOANMDULRCW-UHFFFAOYSA-N

INCHI

1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)

異性体SMILES

C1=C2C(=NC=N1)N=CN2

WGKドイツ

3

RTECS

UO7450000

PubChem CID

1044

分子量

120.11

Beilstein

3200

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: Purines and purine derivatives
• Alternative Parents: Pyrimidines and pyrimidine derivatives Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine - Pyrimidine - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.
• External Descriptors: a ring

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

作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 214-217 °C
• 分子量: 120.110 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 120.044 Da
• Monoisotopic Mass: 120.044 Da
• Topological Polar Surface Area: 54.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 105.000
• 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