Pseudolaric acid B

Base Information

• Chemical Name: Pseudolaric acid B
• CAS No.: 82508-31-4
• Molecular Formula: C23H28 O8
• Molecular Weight: 432.51
• Hs Code.: 29329990
• European Community (EC) Number: 683-229-4
• Nikkaji Number: J643.880F
• Metabolomics Workbench ID: 127110
• ChEMBL ID: CHEMBL218534
• Mol file: 82508-31-4.mol

Synonyms:pseudolaric acid B;pseudolarix acid B

Chemical Property of Pseudolaric acid B

Chemical Property:

• Vapor Pressure: 1.2E-16mmHg at 25°C
• Melting Point: 166°C
• Refractive Index: 1.4480 (estimate)
• Boiling Point: 613.8oC at 760 mmHg
• PKA: 4.52±0.19(Predicted)
• Flash Point: 208.8oC
• PSA: 116.20000
• Density: 1.29g/cm3
• LogP: 2.87060
• Storage Temp.: 2-8°C
• Solubility.: methanol: soluble1mg/mL, clear, colorless
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 432.17841785
• Heavy Atom Count: 31
• Complexity: 913

Purity/Quality:

98%,99%, ^*data from raw suppliers

Pseudolaric Acid B ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-62
• Safety Statements: 36/37-45-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC=CC1(C2CCC3(C2(CCC(=CC3)C(=O)OC)OC(=O)C)C(=O)O1)C)C(=O)O
• Isomeric SMILES: C/C(=C\C=C\[C@@]1([C@@H]2CC[C@@]3([C@@]2(CCC(=CC3)C(=O)OC)OC(=O)C)C(=O)O1)C)/C(=O)O
• Description: Pseudolaric acid B (PAB) is a diterpene acid isolated from the bark of P. kaempferi, a traditional Chinese medicinal plant. It has reported antifungal activities, consistent with its traditional use in the treatment of dermatological fungal infections. Moreover, PAB has diverse effects that are relevant to cancer therapy, including inducing apoptosis of cancer cells (IC50 = ~1 μM), preventing angiogenesis, and inhibiting tumor growth in vivo.
• Uses: (-)-Pseudolaric Acid B is a diterpenoid posessing an immunomodulatory effect. It acts as an immunosuppressant in vitro/vivo however does show some cytotoxicity. Anti-tumor agent as well.