3-Oxobetulin Acetate
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    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

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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: 482.376
Molecular Weight: 482.749
Elemental Analysis: C, 79.62; H, 10.44; O, 9.94

Price and Availability

Size Price Availability Quantity
1.0mg USD 350.0 2 Weeks
5.0mg USD 650.0 2 Weeks
10.0mg USD 1150.0 2 Weeks
25.0mg USD 1950.0 2 Weeks
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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

Preparing Stock Solutions

The following data is based on the product molecular weight 482.749 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

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