IUPAC/Chemical Name
3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide fumarate
InChi Key
BNLKYWVPJPFTMA-YWNVCFPDSA-N
InChi Code
InChI=1S/C17H20N4OS.C4H4O4/c1-10-20-21-17(23-10)19-16(22)12-5-2-4-11(8-12)14-9-15(14)18-13-6-3-7-13;5-3(6)1-2-4(7)8/h2,4-5,8,13-15,18H,3,6-7,9H2,1H3,(H,19,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+/t14-,15+;/m1./s1
SMILES Code
O=C(NC1=NN=C(C)S1)C2=CC=CC([C@@H]3[C@@H](NC4CCC4)C3)=C2.O=C(O)/C=C/C(O)=O
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
444.51
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 |
Matsuda S, Baba R, Oki H, Morimoto S, Toyofuku M, Igaki S, Kamada Y, Iwasaki S, Matsumiya K, Hibino R, Kamada H, Hirakawa T, Iwatani M, Tsuchida K, Hara R, Ito M, Kimura H. T-448, a specific inhibitor of LSD1 enzyme activity, improves learning function without causing thrombocytopenia in mice. Neuropsychopharmacology. 2019 Jul;44(8):1505-1512. doi: 10.1038/s41386-018-0300-9. Epub 2018 Dec 22. PMID: 30580376; PMCID: PMC6785089.
Baba R, Matsuda S, Maeda R, Murakami K, Yamamoto Y, Nakatani A, Kimura H. Investigating the Therapeutic Potential of LSD1 Enzyme Activity-Specific Inhibition by TAK-418 for Social and Memory Deficits in Rodent Disease Models. ACS Chem Neurosci. 2022 Feb 2;13(3):313-321. doi: 10.1021/acschemneuro.1c00713. Epub 2022 Jan 21. PMID: 35061371.