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MedKoo Cat#: 464116 | Name: Betulinic Acid propargyl ester
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Description:

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

Betulinic acid propargyl ester is a pentacyclic lupane triterpene and alkyne derivative of betulinic acid. It has been used in click chemistry reactions for the synthesis of cytotoxic anticancer betulinic acid derivatives.

Chemical Structure

Betulinic Acid propargyl ester
Betulinic Acid propargyl ester
CAS#1400262-27-2

Theoretical Analysis

MedKoo Cat#: 464116

Name: Betulinic Acid propargyl ester

CAS#: 1400262-27-2

Chemical Formula: C33H50O3

Exact Mass: 494.3760

Molecular Weight: 494.76

Elemental Analysis: C, 80.11; H, 10.19; O, 9.70

Price and Availability

Size Price Availability Quantity
5mg USD 350.00 2 Weeks
10mg USD 650.00 2 Weeks
25mg USD 1,150.00 2 Weeks
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Related CAS #
No Data
Synonym
Betulinic Acid propargyl ester;
IUPAC/Chemical Name
prop-2-yn-1-yl (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylate
InChi Key
WAFZCVHWPIEKKN-ODLWIBRJSA-N
InChi Code
InChI=1S/C33H50O3/c1-9-20-36-28(35)33-17-12-22(21(2)3)27(33)23-10-11-25-30(6)15-14-26(34)29(4,5)24(30)13-16-32(25,8)31(23,7)18-19-33/h1,22-27,34H,2,10-20H2,3-8H3/t22-,23+,24-,25+,26-,27+,30-,31+,32+,33-/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)C(OCC#C)=O)[H])[C@]5(C)[C@@]([H])(CC3)C([C@@H](O)CC5)(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 comments
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 494.76 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
1: Dang Thi TA, Kim Tuyet NT, Pham The C, Thanh Nguyen H, Ba Thi C, Doan Duy T, D'hooghe M, Van Nguyen T. Synthesis and cytotoxic evaluation of novel ester- triazole-linked triterpenoid-AZT conjugates. Bioorg Med Chem Lett. 2014 Nov 15;24(22):5190-4. doi: 10.1016/j.bmcl.2014.09.079. Epub 2014 Oct 5. PMID: 25442310.

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