Skip to the beginning of the images gallery

6-Chloropurine - 99%, high purity , CAS No.87-42-3

2 Citations

COA

Grade & Purity:

≥99%

Cas Number: 87-42-3
Molecular Weight: 154.56
Beilstein Registry Number: 5774
EC Number: 201-745-6
MDL number: MFCD00075825
PubChem CID: 5359277
PubChem SID: 504763698

In stock

Item Number

C100147

Grouped product items
SKU	Size	Availability	Price
C100147-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$14.90
C100147-5g	5g	3	$57.90
C100147-25g	25g	3	$125.90
C100147-100g	100g	2	$451.90

View related series

Halogenated heterocyclic block (1171) Pyrimidines (539)

Basic Description

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 \|
Specifications & Purity	≥99%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	6-Chloropurine (6-CIPH), a 6-substituted purine derivative, is an antileukemic drug. It can be prepared by the chlorination of hypoxanthine with phosphorus oxychloride in the presence of dimethylaniline.The NMR-based conformational analysis of the products formed during the reaction of 6-CIPH with 3,4-di-O-acetyl-D-xylal and 3,4-di-O-acetyl-L-arabinal have been reported.6-CIPH can undergo palladium-catalyzed cross coupling with organostannanes at 6-position to form the corresponding arylated or alkylated products.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Imidazopyrimidines
    - Subclass Purines and purine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	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
Description	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
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

Associated Targets(Human)

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504763698
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504763698
IUPAC Name	6-chloro-7H-purine
INCHI	InChI=1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
InChIKey	ZKBQDFAWXLTYKS-UHFFFAOYSA-N
Smiles	C1=NC2=C(N1)C(=NC=N2)Cl
Isomeric SMILES	C1=NC2=C(N1)C(=NC=N2)Cl
WGK Germany	3
RTECS	UO7520000
Molecular Weight	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=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
I2308238	Certificate of Analysis	Aug 22, 2023	C100147
I2308102	Certificate of Analysis	Aug 22, 2023	C100147
I2308103	Certificate of Analysis	Aug 22, 2023	C100147
I2308104	Certificate of Analysis	Aug 22, 2023	C100147
I2308105	Certificate of Analysis	Aug 22, 2023	C100147
I2308101	Certificate of Analysis	Aug 22, 2023	C100147
C1821020	Certificate of Analysis	Jan 21, 2022	C100147
C1821019	Certificate of Analysis	Jan 21, 2022	C100147

Chemical and Physical Properties

Solubility	Soluble in hot water and dimethyl formamide.
Melt Point(°C)	>300℃
Molecular Weight	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 Å²
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

Alternative Products

Citations of This Product

How to Cite Aladdin Scientific Products?

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).
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, 136 (1148).

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration