MedKoo Cat#: 522668 | Name: TAK-259 HCl

Description:

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

TAK-259 is a Novel, Selective, and Orally Active α1D Adrenoceptor Antagonist (α1D, Ki = 1.1 nM) with Anti-urinary Frequency Effects and Reducing Human Ether-a-go-go-Related Gene (hERG) Liabilities. TAK-259 exhibited a larger MRTpo value and potent antiurinary frequency efficacy. TAK-259 is selected as a clinical candidate. TAK-259 represents a promising novel therapeutic agent for the treatment of OAB symptoms.

Chemical Structure

TAK-259 HCl
TAK-259 HCl
CAS#1192347-42-4

Theoretical Analysis

MedKoo Cat#: 522668

Name: TAK-259 HCl

CAS#: 1192347-42-4

Chemical Formula: C14H14Cl3N3O3S

Exact Mass:

Molecular Weight: 410.69

Elemental Analysis: C, 40.94; H, 3.44; Cl, 25.90; N, 10.23; O, 11.69; S, 7.81

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.
Bulk Inquiry
Related CAS #
1192347-42-4 (HCl) 1192348-73-4 (free)
Synonym
TAK-259, TAK259, TAK259
IUPAC/Chemical Name
5-chloro-1-(5-chloro-2-(methylsulfonyl)benzyl)-2-imino-1,2-dihydropyridine-3-carboxamide hydrochloride
InChi Key
MWQYDDZQXFWUAN-UHFFFAOYSA-N
InChi Code
InChI=1S/C14H13Cl2N3O3S.ClH/c1-23(21,22)12-3-2-9(15)4-8(12)6-19-7-10(16)5-11(13(19)17)14(18)20;/h2-5,7,17H,6H2,1H3,(H2,18,20);1H
SMILES Code
O=C(C1=CC(Cl)=CN(CC2=CC(Cl)=CC=C2S(=O)(C)=O)C1=N)N.[H]Cl
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 410.69 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: Sakauchi N, Kohara Y, Sato A, Suzaki T, Imai Y, Okabe Y, Imai S, Saikawa R, Nagabukuro H, Kuno H, Fujita H, Kamo I, Yoshida M. Discovery of 5-Chloro-1-(5-chloro-2-(methylsulfonyl)benzyl)-2-imino-1,2-dihydropyridine-3-carboxamide (TAK-259), as a Novel, Selective, and Orally Active α1D Adrenoceptor Antagonist with Anti-urinary Frequency Effects: Reducing Human Ether-a-go-go-Related Gene (hERG) Liabilities. J Med Chem. 2016 Mar 8. [Epub ahead of print] PubMed PMID: 26954848.