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87-42-3

87-42-3 structure
87-42-3 structure
  • Name: 6-chloropurine
  • Chemical Name: 6-chloro-7H-purine
  • CAS Number: 87-42-3
  • Molecular Formula: C5H3ClN4
  • Molecular Weight: 154.557
  • Catalog: Biochemical Nucleoside drugs Nucleotides and their analogues
  • Create Date: 2018-07-26 10:42:33
  • Modify Date: 2025-08-22 18:58:17
  • 6-Chloropurine is a building block in chemical synthesis. Intermediate in the preparation of 9-alkylpurines and 6-rnercaptopurine. Antitumor activities[1].
Name 6-chloro-7H-purine
Synonyms 7H-Purine, 6-chloro-
5-chloropurine
1H-purine, 6-chloro-
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
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
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.
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
Storage condition 2-8°C
Water Solubility 5 g/L

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO7520000
CHEMICAL NAME :
Purine, 6-chloro-
CAS REGISTRY NUMBER :
87-42-3
LAST UPDATED :
199410
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C5-H3-Cl-N4
MOLECULAR WEIGHT :
154.57
WISWESSER LINE NOTATION :
T56 BM DN FN HNJ IG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
720 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
132 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
514 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD10 - Lethal Dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
230 mg/kg
TOXIC EFFECTS :
Blood - changes in bone marrow (not otherwise specified)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - quail
DOSE/DURATION :
>316 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
100 mg/kg
SEX/DURATION :
female 7 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

MUTATION DATA

TYPE OF TEST :
Host-mediated assay
TEST SYSTEM :
Rodent - mouse Bacteria - Salmonella typhimurium
DOSE/DURATION :
25 mg/kg
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 26,455,1974 *** REVIEWS *** TOXICOLOGY REVIEW CLPTAT Clinical Pharmacology and Therapeutics (St. Louis). (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63146) V.1- 1960- Volume(issue)/page/year: 5,480,1964
Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn:Harmful
Risk Phrases R22;R36/37/38
Safety Phrases S26-S36-S36/37/39
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS UO7520000
HS Code 2933990090
68-94-0 structure

68-94-0

~86%

87-42-3 structure

87-42-3

Literature: Organic and Biomolecular Chemistry, , vol. 2, # 5 p. 665 - 670
948037-39-6 structure

948037-39-6

~92%

87-42-3 structure

87-42-3

Literature: Tetrahedron Letters, , vol. 48, # 32 p. 5589 - 5592
1062217-31-5 structure

1062217-31-5

~0%

1062217-44-0 structure

1062217-44-0

1062217-36-0 structure

1062217-36-0

87-42-3 structure

87-42-3

Literature: Nucleosides, Nucleotides and Nucleic Acids, , vol. 26, # 10-12 p. 1431 - 1434
917239-30-6 structure

917239-30-6

~%

87-42-3 structure

87-42-3

Literature: Nucleosides, Nucleotides and Nucleic Acids, , vol. 24, # 10-12 p. 1707 - 1727
69-89-6 structure

69-89-6

~%

87-42-3 structure

87-42-3

Literature: Russian Journal of Organic Chemistry, , vol. 38, # 7 p. 1053 - 1055
33441-77-9 structure

33441-77-9

~%

87-42-3 structure

87-42-3

Literature: Tetrahedron, , vol. 43, # 6 p. 1133 - 1140
4594-45-0 structure

4594-45-0

~%

87-42-3 structure

87-42-3

Literature: Tetrahedron, , vol. 43, # 6 p. 1133 - 1140
HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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