Acelarin
featured

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

MedKoo CAT#: 206537

CAS#: 840506-29-8

Description: Acelarin, also known as NUC-1031, CPF-31; and GTPL7389, is a prodrug based on an aryloxy phosphoramidate derivative of gemcitabine. Upon intravenous administration and cellular uptake, NUC-1031 is converted into the active metabolites difluorodeoxycytidine di- and triphosphate (dFdCDP, dFdCTP). dFdCDP inhibits ribonucleotide reductase, thereby decreasing the deoxynucleotide pool available for DNA replication; dFdCTP is incorporated into DNA, resulting in premature termination of DNA replication and eventually induction of apoptosis.


Chemical Structure

img
Acelarin
CAS# 840506-29-8

Theoretical Analysis

MedKoo Cat#: 206537
Name: Acelarin
CAS#: 840506-29-8
Chemical Formula: C25H27F2N4O8P
Exact Mass: 580.1535
Molecular Weight: 580.4816
Elemental Analysis: C, 51.73; H, 4.69; F, 6.55; N, 9.65; O, 22.05; P, 5.34

Price and Availability

Size Price Availability Quantity
25.0mg USD 450.0 2 Weeks
50.0mg USD 750.0 2 Weeks
100.0mg USD 1350.0 2 Weeks
Bulk inquiry

Synonym: Acelarin; NUC-1031; NUC 1031; NUC1031; CPF-31; CPF31; GTPL7389; GTPL-7389; GTPL 7389.

IUPAC/Chemical Name: Benzyl (2S)-2-[({[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy}(phenoxy)phosphoryl)amino]propanoate

InChi Key: NHTKGYOMICWFQZ-BSMFTPRPSA-N

InChi Code: InChI=1S/C25H27F2N4O8P/c1-16(22(33)36-14-17-8-4-2-5-9-17)30-40(35,39-18-10-6-3-7-11-18)37-15-19-21(32)25(26,27)23(38-19)31-13-12-20(28)29-24(31)34/h2-13,16,19,21,23,32H,14-15H2,1H3,(H,30,35)(H2,28,29,34)/t16-,19+,21-,23+,40?/m0/s1

SMILES Code: C[C@H](NP(OC1=CC=CC=C1)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)C(F)(F)[C@H]2O)=O)C(OCC4=CC=CC=C4)=O

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, not in water

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 580.4816 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

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

1: Slusarczyk M, Lopez MH, Balzarini J, Mason M, Jiang WG, Blagden S, Thompson E,
Ghazaly E, McGuigan C. Application of ProTide technology to gemcitabine: a
successful approach to overcome the key cancer resistance mechanisms leads to a
new agent (NUC-1031) in clinical development. J Med Chem. 2014 Feb
27;57(4):1531-42. doi: 10.1021/jm401853a. Epub 2014 Feb 14. PubMed PMID:
24471998.

Acelarin

25.0mg / USD 450.0