MedKoo Cat#: 524286 | Name: AT-1459

Description:

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

AT-1459 is an oral, direct thrombin inhibitor. AT-1459 demonstrated potent inhibition of thrombin with an IC₅₀ of approximately 1.8 nM in human plasma assays. In a rat venous thrombosis model, oral administration of AT-1459 at doses of 0.3–3 mg/kg resulted in dose-dependent reductions in thrombus weight, showing efficacy comparable to argatroban. Pharmacokinetic studies in animals indicated good oral bioavailability and a half-life supportive of once- or twice-daily dosing. These data suggest that AT-1459 may offer a promising oral alternative to parenteral direct thrombin inhibitors for antithrombotic therapy, pending further clinical evaluation.

Chemical Structure

AT-1459
AT-1459
CAS#294658-50-7

Theoretical Analysis

MedKoo Cat#: 524286

Name: AT-1459

CAS#: 294658-50-7

Chemical Formula: C29H42N6O4

Exact Mass: 538.3268

Molecular Weight: 538.68

Elemental Analysis: C, 64.66; H, 7.86; N, 15.60; O, 11.88

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
AT-1459; AT 1459; AT1459; UNII-JWP323ABVS;
IUPAC/Chemical Name
Butanoic acid, 4-(((3S)-1-(2-((2S)-2-(2-(6-(aminoiminomethyl)-1-ethyl-1H-indol-2-yl)ethyl)-1-pyrrolidinyl)-2-oxoethyl)hexahydro-2-oxo-1H-azepin-3-yl)amino)-
InChi Key
DTJAQQZJSTVZRK-UPVQGACJSA-N
InChi Code
InChI=1S/C29H42N6O4/c1-2-34-23(17-20-10-11-21(28(30)31)18-25(20)34)13-12-22-7-6-16-35(22)26(36)19-33-15-4-3-8-24(29(33)39)32-14-5-9-27(37)38/h10-11,17-18,22,24,32H,2-9,12-16,19H2,1H3,(H3,30,31)(H,37,38)/t22-,24-/m0/s1
SMILES Code
O=C(O)CCCN[C@@H]1C(N(CC(N2[C@H](CCC(N3CC)=CC4=C3C=C(C(N)=N)C=C4)CCC2)=O)CCCC1)=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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 538.68 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: Cho JH, Yun CH, Seo HS, Koga T, Dan T, Koo BA, Kim HY. The antithrombotic efficacy of AT-1459, a novel, direct thrombin inhibitor, in rat models of venous and arterial thrombosis. Thromb Haemost. 2001 Dec;86(6):1512-20. PubMed PMID: 11776321.