MedKoo Cat#: 465455 | Name: TAK418 HCl
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Description:

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

TAK-418 is a novel inhibitor of the epigenetic modulator lysine-specific demethylase 1A (LSD1).

Chemical Structure

TAK418 HCl
TAK418 HCl
CAS#1818252-53-7 (HCl)

Theoretical Analysis

MedKoo Cat#: 465455

Name: TAK418 HCl

CAS#: 1818252-53-7 (HCl)

Chemical Formula: C17H25ClN2O2S

Exact Mass:

Molecular Weight: 356.91

Elemental Analysis: C, 57.21; H, 7.06; Cl, 9.93; N, 7.85; O, 8.97; S, 8.98

Price and Availability

Size Price Availability Quantity
5mg USD 1,150.00 2 Weeks
10g USD 1,950.00 2 Weeks
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Related CAS #
1818252-52-6 (free base) 1818252-53-7 (HCl)
Synonym
TAK418 HCl; TAK418 hydrochloride; TAK-418; TAK418; TAK 418;
IUPAC/Chemical Name
5-((2R)-2-((cyclopropylmethyl)amino)cyclopropyl)-N-(tetrahydro-2H-pyran-4-yl)thiophene-3-carboxamide hydrochloride
InChi Key
LEEWMGOHGNRDKC-NUNOUFIPSA-N
InChi Code
InChI=1S/C17H24N2O2S.ClH/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11;/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20);1H/t14?,15-;/m1./s1
SMILES Code
O=C(C1=CSC(C2[C@H](NCC3CC3)C2)=C1)NC4CCOCC4.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
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

Preparing Stock Solutions

The following data is based on the product molecular weight 356.91 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: Yin W, Arkilo D, Khudyakov P, Hazel J, Gupta S, Quinton MS, Lin J, Hartman DS, Bednar MM, Rosen L, Wendland JR. Safety, pharmacokinetics and pharmacodynamics of TAK-418, a novel inhibitor of the epigenetic modulator lysine-specific demethylase 1A. Br J Clin Pharmacol. 2021 May 14. doi: 10.1111/bcp.14912. Epub ahead of print. PMID: 33990969.