3-Oxobetulin Acetate
featured

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

MedKoo CAT#: 464061

CAS#: 136587-07-0

Description: 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

img
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: 482.38
Molecular Weight: 482.749
Elemental Analysis: C, 79.62; H, 10.44; O, 9.94

Price and Availability

Size Price Availability Quantity
1mg USD 350 2 Weeks
5mg USD 650 2 Weeks
10mg USD 1150 2 Weeks
25mg USD 1950 2 Weeks
Bulk inquiry

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:

Biological target:
In vitro activity:
In vivo activity:

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
Soluble in DMSO 0.0 100.00

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.
=
x
x
g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x