Basic information
- Name:
Mycophenolic acid
- CAS No.:
24280-93-1
- Molecular Structure:
- Formula:
- C17H20O6
- Molecular Weight:
- 320.37
- Synonyms:
- 4-Hexenoic acid,6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-, (E)- (8CI);(E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoicacid;Melbex;
- EINECS:
- 246-119-3
- Density:
- 1.29 g/cm3
- Melting Point:
- 141 °C
- Boiling Point:
- 611.6 °C at 760 mmHg
- Flash Point:
- 225.8 °C
- Solubility:
- Almost insoluble in cold water. Soluble in alcohol
- Appearance:
- White to off-white powder
- Hazard Symbols:
Xn- Risk Codes:
- 22-61-40
- Safety Description:
- 53-45-36/37 Details
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Chemistry
Molecular Structure of Mycophenolic acid (CAS NO.24280-93-1):
CAS Number: 24280-93-1
Molecular Formula: C17H20O6
Molecular Weight: 320.37
H bond acceptors: 6
H bond donors: 2
Freely Rotating Bonds: 7
Polar Surface Area: 71.06 Å2
EINECS: 246-119-3
Density: 1.29 g/cm3
Melting Point: 141oC
Boiling Point: 611.6oC at 760 mmHg
Flash Point: 225.8oC
Solubility: Almost insoluble in cold water. Soluble in alcohol
Appearance: White to off-white powder
Properties: Needles from hot water.
Storage temp: 2-8oC
Solubility:methanol: 50 mg/mL, clear, colorless to faintly yellow
Form: powder
Merck: 13,6352
Product Categories: Active Pharmaceutical Ingredients; Aromatics Compounds; Aromatics; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals
InChI
InChI=1/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
Smiles
c12c(c(c(C\C=C(\CCC(O)=O)C)c(c1C)OC)O)C(=O)OC2
Toxicity Data With Reference
| 1. | dni-mus:lym 200 nmol/L | CNREA8 Cancer Research. 45 (1985),5512. | ||
| 2. | oms-mus:lym 400 nmol/L | CNREA8 Cancer Research. 45 (1985),5512. | ||
| 3. | orl-rat LD50:352 mg/kg | TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. 29 (1982),400. | ||
| 4. | ivn-rat LD50:450 mg/kg | PMDCAY Progress in Medical Chemistry. 9 (1973),1. | ||
| 5. | ipr-rat LD50:220 mg/kg | TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. 29 (1982),400. | ||
| 6. | scu-rat LD50:230 mg/kg | TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. 29 (1982),400. | ||
| 7. | orl-mus LDLo:1000 mg/kg | 85GDA2 CRC Handbook of Antibiotic Compounds, Volumes 1-9. 5 (1981),445. | ||
| 8. | ipr-mus LD50:505 mg/kg | TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. 29 (1982),400. | ||
| 9. | ivn-mus LDLo:500 mg/kg | 85ERAY Antibiotics: Origin, Nature, and Properties. 3 (1978),1740. |
Consensus Reports
EPA Genetic Toxicology Program.
Safety Profile
A poison by ingestion and intraperitoneal routes. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
Safety Information of Mycophenolic acid (CAS NO.24280-93-1):
Hazard Codes: 
Xn
Risk Statements: 22-61-40
R22:Harmful if swallowed.
R61:May cause harm to the unborn child.
R40:Limited evidence of a carcinogenic effect.
Safety Statements: 53-45-36/37
S53:Avoid exposure - obtain special instructions before use.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37:Wear suitable protective clothing and gloves.
RIDADR: 2811
WGK Germany: 3
RTECS: MP8050000
F: 10
HazardClass: 6.1(b)
PackingGroup: III
Specification
Mycophenolic acid , with CAS number of 24280-93-1, can be called 6-(1,3-Dihydro-7-hydroxy-5-methoxy-4-methyl-1-oxoisobenzofuran-6-yl)-4-methyl-4-hexanoic acid ; 6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid . It is a white to off-white powder. Mycophenolic acid (CAS NO.24280-93-1) is an antibiotic produced by Penicillium brevi-compactum, P. Stoloniferum and related spp. A selective inhibitor of lymphocyte proliferation by blocking inosine monophosphate dehydrogenase, an enzyme involved in the de novo synthesis of purine nucleot.