CAS 4611-05-6|(+)-Ophiobolin A
Introduction：Basic information about CAS 4611-05-6|(+)-Ophiobolin A, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (+)-Ophiobolin A | ||
|---|---|---|---|
| CAS Number | 4611-05-6 | Molecular Weight | 400.551 |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 539.4±50.0 °C at 760 mmHg |
| Molecular Formula | C25H36O4 | Melting Point | / |
| MSDS | ChineseUSA | Flash Point | 177.8±23.6 °C |
| Symbol | GHS06 | Signal Word | Danger |
Names
| Name | ophiobolin A |
|---|---|
| Synonym | More Synonyms |
(+)-Ophiobolin A BiologicalActivity
| Description | Ophiobolin A, a fungal metabolite and a phytotoxin, is a potent and irreversibly inhibitor of calmodulin-activated cyclic nucleotide phosphodiesterase, with an IC50 value of 9 μM. Ophiobolin A antimicrobial and anticancer activity[1]. |
|---|---|
| Related Catalog | Research Areas >>CancerSignaling Pathways >>Metabolic Enzyme/Protease >>Phosphodiesterase (PDE)Research Areas >>Infection |
| Target | IC50: 9 μM (calmodulin-activated cyclic nucleotide phosphodiesterase)[1]. |
| References | [1]. Leung PC, et al. Ophiobolin A. A natural product inhibitor of calmodulin. J Biol Chem. 1984 Mar 10;259(5):2742-7 |
Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 539.4±50.0 °C at 760 mmHg |
| Molecular Formula | C25H36O4 |
| Molecular Weight | 400.551 |
| Flash Point | 177.8±23.6 °C |
| Exact Mass | 400.261353 |
| PSA | 63.60000 |
| LogP | 3.75 |
| Vapour Pressure | 0.0±3.3 mmHg at 25°C |
| Index of Refraction | 1.554 |
| InChIKey | MWYYLZRWWNBROW-BDZRSQQBSA-N |
| SMILES | CC(C)=CC1CC(C)C2(CCC3(C)CC4C(C(=O)CC4(C)O)C(C=O)=CCC32)O1 |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 238 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 6,143,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 21 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 6,143,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 73 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 6,143,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 12 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 6,143,1981
Safety Information
| Symbol | GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301-H312 + H332 |
| Precautionary Statements | Missing Phrase - N15.00950417-P261-P280 |
| Hazard Codes | Xn |
| Risk Phrases | 20/21/22 |
| Safety Phrases | S36 |
| RIDADR | UN 2811 6.1/PG 3 |
| RTECS | RL1576000 |
Synonyms
| COCHLIOBOLIN A |
| (18R)-3-Hydroxy-5-oxo-14,18-epoxyophiobola-7,19-diene-25-al |
| 18-epoxy-3-hydroxy-5-oxo-19-dien-25-a(18r)-ophiobola-14 |
| Ophiobolin A |
| cochliobolin |
| ophiobolin |
| Ophiobolin,Helminthosporium sp. |
| orphiobolin A |
| (7E,18R)-3-Hydroxy-5-oxo-14,18-epoxyophiobola-7,19-dien-25-al |
| Spiro[dicyclopenta[a,d]cyclooctene-3(2H),2'(3'H)-furan]-6-carboxaldehyde, 1,3a,4,4',5',6a,7,8,9,9a,10,10a-dodecahydro-9-hydroxy-3',9,10a-trimethyl-5'-(2-methyl-1-propen-1-yl)-7-oxo-, (3S,3'S,3aR,5E,5'R,6aS,9R,9aS,10aR)- |
| (18R)-14,18-Epoxy-3-hydroxy-5-oxoophiobola-7,19-dien-25-al |
