CAS 87-42-3|6-chloropurine
Introduction：Basic information about CAS 87-42-3|6-chloropurine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 6-chloropurine | ||
|---|---|---|---|
| CAS Number | 87-42-3 | Molecular Weight | 154.557 |
| Density | 1.7±0.1 g/cm3 | Boiling Point | 449.6±25.0 °C at 760 mmHg |
| Molecular Formula | C5H3ClN4 | Melting Point | >300 °C (dec.)(lit.) |
| MSDS | ChineseUSA | Flash Point | 258.2±8.8 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | 6-chloro-7H-purine |
|---|---|
| Synonym | More Synonyms |
6-chloropurine BiologicalActivity
| 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 >>OthersNatural Products >>AlkaloidResearch 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 |
Toxicological Information
CHEMICAL IDENTIFICATION |
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
- 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
Safety Information
| Symbol | 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 |
Customs
| 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% |
Articles33
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| The synthesis of novel fluorescent purine analogues modified by azacrown ether at C6 Bioorg. Med. Chem. Lett. 20(10) , 3098-102, (2010) The synthesis and fluorescence properties of novel purine analogues linked azacrown ether at C6 position were investigated. These new purine analogues could be prepared from a series of 6-chloropurine... | |
| Evidence for Watson-Crick and not Hoogsteen or wobble base pairing in the selection of nucleotides for insertion opposite pyrimidines and a thymine dimer by yeast DNA pol eta. Biochemistry 44(12) , 4850-60, (2005) We have recently reported that pyrene nucleotide is preferentially inserted opposite an abasic site, the 3'-T of a thymine dimer, and most undamaged bases by yeast DNA polymerase eta (pol eta). Becaus... |
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 |
