Chemical Property of Methyl betulinate
Chemical Property:
- Melting Point:222-223°C
- Boiling Point:523.5°Cat760mmHg
- PKA:15.16±0.70(Predicted)
- Flash Point:189.5°C
- PSA:46.53000
- Density:1.036g/cm3
- LogP:7.17790
- XLogP3:8.5
- Hydrogen Bond Donor Count:1
- Hydrogen Bond Acceptor Count:3
- Rotatable Bond Count:3
- Exact Mass:470.37599545
- Heavy Atom Count:34
- Complexity:876
- Purity/Quality:
-
99% *data from raw suppliers
BetulinicAcidMethylEster *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)OC
- Isomeric SMILES:CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)OC
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Description
Betulinic acid methyl ester is a lupane-type triterpenoid and an esterified version of betulinic acid that has been found in Helicteres hirsuta and has diverse biological activities. It inhibits HIV-1 reverse transcriptase (IC50 = 11 μM). Betulinic acid methyl ester is active against L. braziliensis and T. cruzi (IC50s = 69.9 and 93.3 μM, respectively). It induces melanogenesis in (EC50 = 2.5 μM) and inhibits the growth of B16 2F2 melanoma cells in vitro (IC50 = 4.9 μM). Betulinic acid methyl ester is cytotoxic to SK-LU-1, HepG2, HeLa, SK-MEL-2, and AGS cells (IC50s = 60.84, 77.43, 80.17, 66.17, and 69.94 μg/ml, respectively).