6-Cloropurina - ≥99% , CAS No.87-42-3

CAS: 87-42-3 Cat. No.: C100147 Formula: C₅H₃ClN₄ Peso molecolare: 154.56 Beilstein Registry Number: 5774 Numero EC: 201-745-6

GRADE & PURITY ≥99%

Synonyms

6-Chloropurine, >=99% | OH8700156W | SK 6048 | 6-Chloropurine, crystalline | J-514884 | 6-Chloropurin-9-yl | W-104024 | AB02899 | HY-Y0247 | InChI=1/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10) | STR05267 | 6-Chloro-1H-purine | Caswell No. 860 |

Storage

Conservare a 2-8°C

Shipped In

Ghiaccio umido

Panoramica

la 6-cloropurina (6-CIPH), un derivato purinico 6-sostituito, è un farmaco antileucemico. È stata riportata l'analisi conformazionale basata sull'NMR dei prodotti che si formano durante la reazione della 6-CIPH con il 3,4-di-O-acetil-D-xilale e il 3,4-di-O-acetil-L-arabinale. La 6-CIPH può subire un accoppiamento incrociato catalizzato da palladio con organostannani in posizione 6 per formare i corrispondenti prodotti arilati o alchilati.

Specifications

Sinonimi

6-Chloropurine, >=99% | OH8700156W | SK 6048 | 6-Chloropurine, crystalline | J-514884 | 6-Chloropurin-9-yl | W-104024 | AB02899 | HY-Y0247 | InChI=1/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10) | STR05267 | 6-Chloro-1H-purine | Caswell No. 860 |

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C

Spedito in

Ghiaccio umido

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 504763698
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763698
• Sorrisi canonici: C1=NC2=C(N1)C(=NC=N2)Cl
• IUPAC Name: 6-chloro-7H-purine
• InChIKey: ZKBQDFAWXLTYKS-UHFFFAOYSA-N
• INCHI: 1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
• Isomeri SMILES: C1=NC2=C(N1)C(=NC=N2)Cl
• WGK Germania: 3
• RTECS: UO7520000
• Peso molecolare: 154.56
• Beilstein: 5774
• Reaxy-Rn: 5774
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5774&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: Purines and purine derivatives
• Alternative Parents: Halopyrimidines Aryl chlorides Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine - Halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Azacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descrizione: 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 small molecule

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)

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in hot water and dimethyl formamide.
• Punto di fusione (°C): >300℃
• Peso molecolare: 154.560 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 154.005 Da
• Monoisotopic Mass: 154.005 Da
• Topological Polar Surface Area: 54.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 131.000
• 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

Riferimenti

1. Liu Hongmei, Chang Hong, Lv Jia, Jiang Cong, Li Zhenxi, Wang Fei, Wang Hui, Wang Mingming, Liu Chongyi, Wang Xinyu, Shao Naimin, He Bingwei, Shen Wanwan, Zhang Qiang, Cheng Yiyun.  (2016)  Screening of efficient siRNA carriers in a library of surface-engineered dendrimers.  Scientific Reports,  6  (1): (1-11).  [PMID:27121799] [10.1038/srep25069]

2. Hui Wang, Haifeng Wei, Quan Huang, Hongmei Liu, Jingjing Hu, Yiyun Cheng, Jianru Xiao.  (2015)  Nucleobase-modified dendrimers as nonviral vectors for efficient and low cytotoxic gene delivery.  COLLOIDS AND SURFACES B-BIOINTERFACES,      [PMID:26613860] [10.1016/j.colsurfb.2015.11.015]

3. Qinyi Zhang, Jiaqi Liang, Junyi Zhang, Zhidong Chang, Yanjun Zhao, Changyan Sun.  (2025)  Highly sensitive fluorescence detection of ferulic acid in food using a Zn-MOF based fluorescent probe.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:40913841] [10.1016/j.saa.2025.126901]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 87-42-3, the molecular formula is C5H3ClN4, and the molecular weight is 154.56 g/mol. InChIKey ZKBQDFAWXLTYKS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.