CAS 73-24-5|Adenine
Introduction：Basic information about CAS 73-24-5|Adenine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Adenine | ||
|---|---|---|---|
| CAS Number | 73-24-5 | Molecular Weight | 135.127 |
| Density | 1.9±0.1 g/cm3 | Boiling Point | 243.2±50.0 °C at 760 mmHg |
| Molecular Formula | C5H5N5 | Melting Point | 360-365ºC |
| MSDS | ChineseUSA | Flash Point | 100.9±30.1 °C |
| Symbol | GHS06 | Signal Word | Danger |
Names
| Name | adenine |
|---|---|
| Synonym | More Synonyms |
Adenine BiologicalActivity
| Description | Adenine is a purine derivative and a nucleobase with a variety of roles in biochemistry. Target: Nucleoside antimetabolite/analogAdenine is a nucleobase with a variety of roles in biochemistry including cellular respiration, in the form of both the energy-rich adenosine triphosphate (ATP) and the cofactors nicotinamide adenine dinucleotide (NAD) and flavin adenine dinucleotide (FAD), andprotein synthesis, as a chemical component of DNA and RNA. The shape of adenine is complementary to either thymine in DNA or uracil in RNA.In older literature, adenine was sometimes called Vitamin B4. It is no longer considered a true vitamin or part of the Vitamin B complex. However, two B vitamins, niacin and riboflavin, bind with adenine to form the essential cofactors nicotinamide adenine dinucleotide (NAD) and flavin adenine dinucleotide (FAD), respectively. Hermann Emil Fischer was one of the early scientists to study adenine. Experiments performed in 1961 by Joan Oró have shown that a large quantity of adenine can be synthesized from the polymerization of ammonia with fivehydrogen cyanide (HCN) molecules in aqueous solution, whether this has implications for the origin of life on Earth is under debate. |
|---|---|
| Related Catalog | Signaling Pathways >>Cell Cycle/DNA Damage >>DNA/RNA SynthesisNatural Products >>Saccharides and GlycosidesResearch Areas >>Cancer |
| Target | Human Endogenous Metabolite |
| References | [1]. Reader V. The assay of vitamin B(4). Biochem J. 1930;24(6):1827-31. [2]. ORO J, et al. Synthesis of purines under possible primitive earth conditions. I. Adenine from hydrogen cyanide. Arch Biochem Biophys. 1961 Aug;94:217-27. |
Chemical & Physical Properties
| Density | 1.9±0.1 g/cm3 |
|---|---|
| Boiling Point | 243.2±50.0 °C at 760 mmHg |
| Melting Point | 360-365ºC |
| Molecular Formula | C5H5N5 |
| Molecular Weight | 135.127 |
| Flash Point | 100.9±30.1 °C |
| Exact Mass | 135.054489 |
| PSA | 80.48000 |
| LogP | -2.12 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.954 |
| InChIKey | GFFGJBXGBJISGV-UHFFFAOYSA-N |
| SMILES | Nc1ncnc2nc[nH]c12 |
| Water Solubility | 0.5 g/L (20 ºC) |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 227 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Behavioral - muscle weakness Lungs, Thorax, or Respiration - other changes
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 198 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - muscle weakness Lungs, Thorax, or Respiration - cyanosis
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 783 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 :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/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 :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >30 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 :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 70 mg/kg/36D-C
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - changes in bladder weight Blood - changes in leukocyte (WBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 9450 mg/kg/6W-C
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - other changes Blood - changes in bone marrow (not otherwise specified) Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 400 mg/kg/4D-I
- TOXIC EFFECTS :
- Gastrointestinal - peritonitis Kidney, Ureter, Bladder - other changes Blood - other changes
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 525 mg/kg/3W-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 5040 mg/kg
- SEX/DURATION :
- male 4 week(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - testes, epididymis, sperm duct
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 300 mg/kg
- SEX/DURATION :
- female 10 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - eye/ear
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 300 mg/kg
- SEX/DURATION :
- female 12 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - urogenital system
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 200 mg/kg
- SEX/DURATION :
- female 10 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 200 mg/kg
- SEX/DURATION :
- female 10 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 200 mg/kg
- SEX/DURATION :
- female 9 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - gastrointestinal system
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 500 mg/kg
- SEX/DURATION :
- male 5 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count)
- TYPE OF TEST :
- Cytogenetic analysis
- TYPE OF TEST :
- Cytogenetic analysis
MUTATION DATA - TEST SYSTEM :
- Rodent - mouse
- DOSE/DURATION :
- 500 mg/kg/5D (Continuous)
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 200,249,1988 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3548 No. of Facilities: 269 (estimated) No. of Industries: 3 No. of Occupations: 6 No. of Employees: 1284 (estimated) No. of Female Employees: 932 (estimated)
- TEST SYSTEM :
- Rodent - mouse
- DOSE/DURATION :
- 500 mg/kg/5D (Continuous)
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 200,249,1988 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3548 No. of Facilities: 269 (estimated) No. of Industries: 3 No. of Occupations: 6 No. of Employees: 1284 (estimated) No. of Female Employees: 932 (estimated)
Safety Information
| Symbol | GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301 |
| Precautionary Statements | P301 + P310 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard Codes | Xn:Harmful |
| Risk Phrases | R22 |
| Safety Phrases | S26-S36 |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | AU6125000 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2936290090 |
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% |
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Synonyms
| 7(9)H-purin-6-ylamine |
| Ade |
| 1H-Purine-6-amine |
| 1H-Purine, 6-amino- |
| Vitamin- B4 |
| Adenin |
| 1,9-Dihydro-6H-purin-6-imine |
| 9H-Purine-6-amine |
| EINECS 200-796-1 |
| adensoine |
| Crytidine |
| 6H-Purin-6-imine, 1,9-dihydro- |
| 1H-Purin-6-amine |
| 9H-Purin-6-yl-amin |
| 9H-Purin-6-amin |
| 9H-Adenine |
| T56 BM DN FN HNJ IZ |
| Leuco-4 |
| 9H-Purin-6-amine |
| MFCD00041790 |
| Adenine |
| ADENINE(P) |
| usafcb-18 |
| 6-aminopurine |
| 6-amino-Purine |
| Vitamin B4 |
