Introduction：Basic information about CAS 54-47-7|Pyridoxal phosphate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Pyridoxal phosphate |
|---|
| CAS Number | 54-47-7 | Molecular Weight | 247.142 |
|---|
| Density | 1.6±0.1 g/cm3 | Boiling Point | 565.7±60.0 °C at 760 mmHg |
|---|
| Molecular Formula | C8H10NO6P | Melting Point | 140-143ºC |
|---|
| MSDS | / | Flash Point | 296.0±32.9 °C |
|---|
Names
| Name | pyridoxal 5'-phosphate |
|---|
| Synonym | More Synonyms |
|---|
Pyridoxal phosphate BiologicalActivity
| Description | Pyridoxal phosphate is the active form of vitamin B6, acts as an inhibitor of reverse transcriptases, and is used for the treatment of tardive dyskinesia. |
|---|
| Related Catalog | Signaling Pathways >>Anti-infection >>Reverse TranscriptaseResearch Areas >>Neurological DiseaseNatural Products >>Others |
|---|
| Target | Human Endogenous Metabolite |
|---|
| In Vitro | Pyridoxal 5′-phosphate severely inhibits the DNA Polymerase and RNase H. Pyridoxal phosphate results in an imnediate reduction in the rate of DNA synthesis[1]. Conjugation to pyridoxal phosphate fully inhibits NEIL2. Pyridoxal phosphate-conjugated NEIL2 shows much lower activity than the intact enzyme over a wide range of enzyme/substrate ratios. After Pyridoxal phosphate conjugation, the ability of NEIL2 to bind the THF-ligand is completely lost[2]. |
|---|
| References | [1]. Modak MJ. Pyridoxal 5' phosphate: a selective inhibitor of oncornaviral DNA polymerases. Biochem Biophys Res Commun. 1976 Jul 12;71(1):180-7. [2]. Grin IR, et al. Inactivation of NEIL2 DNA glycosylase by pyridoxal phosphate reveals a loop important for substrate binding. Biochem Biophys Res Commun. 2010 Mar 26;394(1):100-5. |
|---|
Chemical & Physical Properties
| Density | 1.6±0.1 g/cm3 |
|---|
| Boiling Point | 565.7±60.0 °C at 760 mmHg |
|---|
| Melting Point | 140-143ºC |
|---|
| Molecular Formula | C8H10NO6P |
|---|
| Molecular Weight | 247.142 |
|---|
| Flash Point | 296.0±32.9 °C |
|---|
| Exact Mass | 247.024567 |
|---|
| PSA | 126.76000 |
|---|
| LogP | -0.52 |
|---|
| Vapour Pressure | 0.0±1.6 mmHg at 25°C |
|---|
| Index of Refraction | 1.641 |
|---|
| InChIKey | NGVDGCNFYWLIFO-UHFFFAOYSA-N |
|---|
| SMILES | Cc1ncc(COP(=O)(O)O)c(C=O)c1O |
|---|
| Storage condition | −20°C |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UV1207000
- CHEMICAL NAME :
- Pyridoxal, 5-(dihydrogen phosphate)
- CAS REGISTRY NUMBER :
- 54-47-7
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 11
- MOLECULAR FORMULA :
- C8-H10-N-O6-P
- MOLECULAR WEIGHT :
- 247.16
- WISWESSER LINE NOTATION :
- T6NJ B1 CQ DVH E1OPQQO
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5900 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 - rat
- DOSE/DURATION :
- 850 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 :
- 4640 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 :
- 870 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 :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 530 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 :
- Intramuscular
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1150 mg/kg
- TOXIC EFFECTS :
- Behavioral - antipsychotic
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - species unspecified
- DOSE/DURATION :
- >3 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 :
- Subcutaneous
- SPECIES OBSERVED :
- Mammal - species unspecified
- DOSE/DURATION :
- 550 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA - TYPE OF TEST :
- DNA damage
- TEST SYSTEM :
- Bacteria - Escherichia coli
- DOSE/DURATION :
- 50 umol/L
- REFERENCE :
- FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 34,530,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3949 No. of Facilities: 577 (estimated) No. of Industries: 2 No. of Occupations: 5 No. of Employees: 5538 (estimated) No. of Female Employees: 3978 (estimated)
|
Safety Information
| Safety Phrases | 22-24/25 |
|---|
| WGK Germany | 3 |
|---|
| HS Code | 2936250000 |
|---|
Customs
| HS Code | 2933399090 |
|---|
| Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
|---|
Synonyms
| Pyridoxal-5-monophosphate |
| (4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate |
| Phosphate, Pyridoxal |
| (4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate |
| (4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methyldihydrogen-phosphat |
| Aderoxal |
| EINECS 200-208-3 |
| Pyridoxal phosphate (6CI) |
| (4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyldihydrogen-phosphat |
| Vitamin B6 phosphate |
| Pyridoxal 5-phosphate |
| Pyridoxal phosphate |
| MFCD00006333 |
| 4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-[ (phosphonooxy)methyl]- |
| Pyridoxyl phosphate |
| Pyridoxal 5'-phosphic acid |
| Isonicotinaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl-, 5-(dihydrogen phosphate) |
| 4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]- |
| 3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinecarboxaldehyde |
