ACT-281959

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

MedKoo CAT#: 522500

CAS#: 1159501-31-1

Description: ACT-281959, a prodrug of ACT-246475, is a novel potent and selective P2Y12 Receptor Antagonist with a Wider Therapeutic Window in the Rat Than Clopidogrel. ACT-281959 showed antithrombotic efficacy after oral administration in the rat ferric chloride model. ACT-281959 entered clinical studies in healthy volunteers.


Chemical Structure

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ACT-281959
CAS# 1159501-31-1

Theoretical Analysis

MedKoo Cat#: 522500
Name: ACT-281959
CAS#: 1159501-31-1
Chemical Formula: C38H55N6O14P
Exact Mass: 850.35139
Molecular Weight: 850.85976
Elemental Analysis: C, 53.64; H, 6.52; N, 9.88; O, 26.32; P, 3.64

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Synonym: ACT-281959; ACT 281959; ACT281959.

IUPAC/Chemical Name: butyl 4-((R)-3-(bis(((isopropoxycarbonyl)oxy)methoxy)phosphoryl)-2-(6-((S)-3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamido)propanoyl)piperazine-1-carboxylate

InChi Key: ZDPYSJCPGHHDID-SMCANUKXSA-N

InChi Code: InChI=1S/C38H55N6O14P/c1-7-8-20-52-36(47)43-18-16-42(17-19-43)35(46)31(23-59(50,55-24-53-37(48)57-26(2)3)56-25-54-38(49)58-27(4)5)40-34(45)30-21-32(44-15-14-29(22-44)51-6)41-33(39-30)28-12-10-9-11-13-28/h9-13,21,26-27,29,31H,7-8,14-20,22-25H2,1-6H3,(H,40,45)/t29-,31-/m0/s1

SMILES Code: O=C(N1CCN(C([C@@H](NC(C2=NC(C3=CC=CC=C3)=NC(N4CC[C@@H](C4)OC)=C2)=O)CP(OCOC(OC(C)C)=O)(OCOC(OC(C)C)=O)=O)=O)CC1)OCCCC

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 850.85976 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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1: Caroff E, Hubler F, Meyer E, Renneberg D, Gnerre C, Treiber A, Rey M, Hess P,
Steiner B, Hilpert K, Riederer MA.
4-((R)-2-{[6-((S)-3-Methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carbonyl]amino}-
3-phosphonopropionyl)piperazine-1-carboxylic Acid Butyl Ester (ACT-246475) and
Its Prodrug (ACT-281959), a Novel P2Y(12) Receptor Antagonist with a Wider
Therapeutic Window in the Rat Than Clopidogrel. J Med Chem. 2015 Nov 18. [Epub
ahead of print] PubMed PMID: 26550844.

2: Baldoni D, Bruderer S, Krause A, Gutierrez M, Gueret P, Astruc B, Dingemanse
J. A new reversible and potent P2Y12 receptor antagonist (ACT-246475):
tolerability, pharmacokinetics, and pharmacodynamics in a first-in-man trial.
Clin Drug Investig. 2014 Nov;34(11):807-18. doi: 10.1007/s40261-014-0236-8.
PubMed PMID: 25331625.