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6-Chloropurine structure, CAS 87-42-3

6-Chloropurine

CAS Number87-42-3

Synonyms5-chloropurine; 1H-6-chloropurine; Purine,6-chloro; MFCD00075825; 1H-Purine,6-chloro; 6-Chloropurine; 6-Chloro-1H-purine; chloropurine,6; EINECS 201-745-6; 6-Chlorpurine; 6-CP; 6-CHLORO-9H-PURINE

Molecular FormulaC5H3ClN4

Molecular Weight154.56

Purity≥99%

Density1.7±0.1 g/cm3

Boiling Point449.6±25.0 °C at 760 mmHg

Melting Point>300 °C (dec.) (lit.)

Flash Point

Appearancepowder

EINECS201-745-6

MSDSChineseEnglish

SymbolTransport

Signal WordWarning

Cat. No.: 2A-9006812 Purity: ≥99%
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Quality Control of [ 87-42-3 ] Purity: ≥99% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number87-42-3
Catalog No.2A-9006812
Chinese Name6-氯嘌呤
Synonyms5-chloropurine; 1H-6-chloropurine; Purine,6-chloro; MFCD00075825; 1H-Purine,6-chloro; 6-Chloropurine; 6-Chloro-1H-purine; chloropurine,6; EINECS 201-745-6; 6-Chlorpurine; 6-CP; 6-CHLORO-9H-PURINE
Molecular FormulaC5H3ClN4
Molecular Weight154.56
Purity≥99
Density1.7±0.1 g/cm3
Boiling Point449.6±25.0 °C at 760 mmHg
Melting Point>300 °C (dec.) (lit.)
Appearancepowder
Water Solubility5 g/L
Storage ConditionThis product should be sealed and stored dry at 4°
Application6-Chloropurine is a building block of chemical synthesis. Preparation of intermediates of 9-alkylpurine and 6-mercaptopurine. It has anti-tumor activity[1].
EINECS201-745-6
HTC2933990090
PubChem ID24849911
MDL NumberMFCD00075825
SMILESClc1ncnc2[nH]cnc12
InChI1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
InChI KeyZKBQDFAWXLTYKS-UHFFFAOYSA-N
Beilstein/REAXYS5774
NACRES CodeNA.22
UNSPSC12352100
Hazard SymbolsTransport
MSDSmsds/6812_1_87_42_3.pdf
Bioactivity6-Chloropurine is a building block in chemical synthesis. Intermediate in the preparation of 9-alkylpurines and 6-rnercaptopurine. Antitumor activities[1]. Related Catalog Signaling Pathways >> Others >> Others Natural Products >> Alkaloid Research Areas >> Cancer In Vivo 6-Chloropurine to S-(6-punnyl)glutathione and further metabolism of S-(6-punnyl)glutathione to 6-mercaptopunne may be involved in the mechanism of the 6-Chloropurine-induced antitumor activity[1]. 6-chloropurine and azaserine have been shown to have synergic antitumor properties in a variety of mouse neoplasms when administered simultaneously[1]. References [1]. Hwang IY, et al. Detection and mechanisms of formation of S-(6-purinyl)glutathione and 6-mercaptopurine in rats given 6-chloropurine. J Pharmacol Exp Ther. 1993 Jan;264(1):41-6. [2]. Sartorelli AC, et al. Comparative studies on the in vivo action of 6-chloropurine, 6-chloropurine ribonucleoside, and 6-chloro-9-ethylpurine on sarcoma 180 ascites cells. J Pharmacol Exp Ther. 1961 Oct;134:123-8. Chemical & Physical Properties Density 1.7±0.1 g/cm3 Boiling Point 449.6±25.0 °C at 760 mmHg Melting Point >300 °C (dec.)(lit.) Molecular Formula C5H3ClN4 Molecular Weight 154.557 Flash Point 258.2±8.8 °C Exact Mass 154.004623 PSA 54.46000 LogP 0.13 Vapour Pressure 0.0±1.1 mmHg at 25°C Index of Refraction 1.740 InChIKey ZKBQDFAWXLTYKS-UHFFFAOYSA-N SMILES Clc1ncnc2nc[nH]c12 Storage condition 2-8°C Water Solubility 5 g/L
Use of6-Chloropurine is a building block in chemical synthesis. Intermediate in the preparation of 9-alkylpurines and 6-rnercaptopurine. Antitumor activities[1]. Properties Articles33 Name 6-chloro-7H-purine Synonym More Synonyms 6-chloropurine Biological Activity Description 6-Chloropurine is a building block in chemical synthesis. Intermediate in the preparation of 9-alkylpurines and 6-rnercaptopurine. Antitumor activities[1]. Related Catalog Signaling Pathways >> Others >> Others Natural Products >> Alkaloid Research Areas >> Cancer In Vivo 6-Chloropurine to S-(6-punnyl)glutathione and further metabolism of S-(6-punnyl)glutathione to 6-mercaptopunne may be involved in the mechanism of the 6-Chloropurine-induced antitumor activity[1]. 6-chloropurine and azaserine have been shown to have synergic antitumor properties in a variety of mouse neoplasms when administered simultaneously[1]. References [1]. Hwang IY, et al. Detection and mechanisms of formation of S-(6-purinyl)glutathione and 6-mercaptopurine in rats given 6-chloropurine. J Pharmacol Exp Ther. 1993 Jan;264(1):41-6. [2]. Sartorelli AC, et al. Comparative studies on the in vivo action of 6-chloropurine, 6-chloropurine ribonucleoside, and 6-chloro-9-ethylpurine on sarcoma 180 ascites cells. J Pharmacol Exp Ther. 1961 Oct;134:123-8. Chemical & Physical Properties Exact Mass 154.004623 PSA 54.46000 Index of Refraction 1.740 InChIKey ZKBQDFAWXLTYKS-UHFFFAOYSA-N SMILES Clc1ncnc2nc[nH]c12
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available The above information is believed to be correct, but is not all-inclusive and should be used as a guide only. The information in this document is based on our current knowledge and is Correct safety instructions apply to this product. This information does not represent a warranty as to the properties of this product. See reverse side of invoice or packing slip.
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