MedKoo Cat#: 464061 | Name: 3-Oxobetulin Acetate
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

3-Oxobetulin acetate is a derivative of the cholesterol biosynthesis inhibitor betulin. It inhibits the growth of P388 murine lymphocytic leukemia cells (EC50 = 0.12 µg/ml), as well as human MCF-7 breast, SF-268 CNS, H460 lung, and KM20L2 colon cancer cells (GI50s = 8, 10.6, 5.2, and 12.7 µg/ml, respectively), but not BxPC-3 pancreas or DU145 prostate cancer cells (GI50s = >10 µg/ml for both). 3-Oxobetulin acetate inhibits replication of X4 tropic recombinant HIV (NL4.3-Ren) in MT-2 lymphoblastoid cells (IC50 = 13.4 µM). It is also active against L. donovani amastigotes when used at a concentration of 50 µM.

Chemical Structure

3-Oxobetulin Acetate
3-Oxobetulin Acetate
CAS#136587-07-0

Theoretical Analysis

MedKoo Cat#: 464061

Name: 3-Oxobetulin Acetate

CAS#: 136587-07-0

Chemical Formula: C32H50O3

Exact Mass: 482.3760

Molecular Weight: 482.75

Elemental Analysis: C, 79.62; H, 10.44; O, 9.94

Price and Availability

Size Price Availability Quantity
5mg USD 400.00 2 Weeks
10mg USD 650.00 2 Weeks
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Related CAS #
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Synonym
3-Oxobetulin Acetate; 3 Oxobetulin Acetate; 28-O-acetyl-3-Oxobetulin; 3-oxo-28-O-Acetylbetulin;
IUPAC/Chemical Name
((1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysen-3a-yl)methyl acetate
InChi Key
KONAXQKGWYDUTG-MOFGVCBJSA-N
InChi Code
InChI=1S/C32H50O3/c1-20(2)22-11-16-32(19-35-21(3)33)18-17-30(7)23(27(22)32)9-10-25-29(6)14-13-26(34)28(4,5)24(29)12-15-31(25,30)8/h22-25,27H,1,9-19H2,2-8H3/t22-,23+,24-,25+,27+,29-,30+,31+,32+/m0/s1
SMILES Code
C[C@]12[C@@]3(C)[C@]([H])(CC[C@@]1([C@@]4([H])[C@H](C(C)=C)CC[C@@]4(CC2)COC(C)=O)[H])[C@]5(C)[C@@]([H])(CC3)C(C(CC5)=O)(C)C
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Solvent mg/mL mM
Solubility
Soluble in DMSO 0.0 100.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 482.75 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL