TAK-802 | CAS#263248-16-4 | Acetylcholinesterase inhibitor

MedKoo Cat#: 466089 | Name: TAK-802

Description:

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

TAK-802 is a potent acetylcholinesterase inhibitor.

Chemical Structure

TAK-802

CAS#263248-16-4

Theoretical Analysis

MedKoo Cat#: 466089

Name: TAK-802

CAS#: 263248-16-4

Chemical Formula: C26H29FN2O2

Exact Mass: 420.2213

Molecular Weight: 420.53

Elemental Analysis: C, 74.26; H, 6.95; F, 4.52; N, 6.66; O, 7.61

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 #

No Data

Synonym

TAK-802; TAK802; TAK 802;

IUPAC/Chemical Name

8-(3-(1-(3-fluorobenzyl)piperidin-4-yl)propanoyl)-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one

InChi Key

RAYMNBAAUXRZHA-UHFFFAOYSA-N

InChi Code

InChI=1S/C26H29FN2O2/c27-23-3-1-2-19(14-23)17-28-11-8-18(9-12-28)4-6-24(30)22-15-20-5-7-25(31)29-13-10-21(16-22)26(20)29/h1-3,14-16,18H,4-13,17H2

SMILES Code

O=C1N2C3=C(C=C(C(CCC4CCN(CC5=CC=CC(F)=C5)CC4)=O)C=C3CC2)CC1

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

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 420.53 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.

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: Kakehi M, Tagawa Y, Goto A, Kondo T, Asahi S. The effects of the concentration-dependent erythrocyte distribution of TAK-802, a potent acetylcholinesterase inhibitor, on rat pharmacokinetics. Biopharm Drug Dispos. 2016 Nov;37(8):467-478. doi: 10.1002/bdd.2029. Epub 2016 Sep 26. PMID: 27554287. 2: Nishihara M, Takahashi J, Kondo T, Mouri K, Asahi S. Main metabolic pathways of TAK-802, a novel drug candidate for voiding dysfunction, in humans: the involvement of carbonyl reduction by 11β-hydroxysteroid dehydrogenase 1. Drug Res (Stuttg). 2014 Sep;64(9):476-84. doi: 10.1055/s-0033-1363221. Epub 2013 Dec 19. PMID: 24357138. 3: Kakehi M, Tagawa Y, Kondo T, Asahi S. Disposition of the new potent acetylcholinesterase inhibitor 8-[3-[1-[(3-fluorophenyl)methyl]-4-piperidiny]-1-oxopropyl]-1, 2, 5, 6-tetrahydro-4H-pyrrolo [3, 2, 1-ij] quinolin-4-one (TAK-802) in rats, dogs and monkeys. Drug Res (Stuttg). 2013 Jun;63(6):293-9. doi: 10.1055/s-0033-1337927. Epub 2013 Apr 12. PMID: 23585302. 4: Hashimoto T, Nagabukuro H, Doi T. Effects of the selective acetylcholinesterase inhibitor TAK-802 on the voiding behavior and bladder mass increase in rats with partial bladder outlet obstruction. J Urol. 2005 Sep;174(3):1137-41. doi: 10.1097/01.ju.0000168616.71956.a4. PMID: 16094081. 5: Nagabukuro H, Doi T. Differential effects of TAK-802, a selective acetylcholinesterase inhibitor, and carbamate acetylcholinesterase inhibitors on contraction of the detrusor smooth muscle of the guinea pig. Life Sci. 2005 Nov 12;77(26):3276-86. doi: 10.1016/j.lfs.2005.04.028. Epub 2005 Jun 22. PMID: 15978636. 6: Nagabukuro H, Hashimoto T, Iwata M, Doi T. Effects of TAK-802, a novel acetylcholinesterase inhibitor, and tamsulosin, an alpha1-adrenoceptor antagonist, and their synergistic effects on the urodynamic characteristics in a guinea-pig model of functional bladder outlet obstruction. BJU Int. 2005 May;95(7):1071-6. doi: 10.1111/j.1464-410X.2005.05469.x. PMID: 15839935. 7: Ishichi Y, Sasaki M, Setoh M, Tsukamoto T, Miwatashi S, Nagabukuro H, Okanishi S, Imai S, Saikawa R, Doi T, Ishihara Y. Novel acetylcholinesterase inhibitor as increasing agent on rhythmic bladder contractions: SAR of 8-{3-[1-( 3-fluorobenzyl)piperidin-4-yl]propanoyl}-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij] quinolin-4-one (TAK-802) and related compounds. Bioorg Med Chem. 2005 Mar 15;13(6):1901-11. doi: 10.1016/j.bmc.2005.01.022. PMID: 15727846. 8: Nagabukuro H, Okanishi S, Doi T. Effects of TAK-802, a novel acetylcholinesterase inhibitor, and various cholinomimetics on the urodynamic characteristics in anesthetized guinea pigs. Eur J Pharmacol. 2004 Jun 28;494(2-3):225-32. doi: 10.1016/j.ejphar.2004.05.007. PMID: 15212979. 9: Nagabukuro H, Okanishi S, Imai S, Ishichi Y, Ishihara Y, Doi T. Effects of TAK-802, a novel acetylcholinesterase inhibitor, on distension-induced rhythmic bladder contractions in rats and guinea pigs. Eur J Pharmacol. 2004 Feb 6;485(1-3):299-305. doi: 10.1016/j.ejphar.2003.11.045. PMID: 14757154.