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MedKoo Cat#: 465009 | Name: DS18561882

Description:

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

DS18561882 is an isozyme-selective MTHFD2 inhibitor. DS18561882 shows a good oral pharmacokinetic profile, and thereby tumor growth inhibition in a mouse xenograft model upon oral administration.

Chemical Structure

DS18561882
DS18561882
CAS#2227149-22-4

Theoretical Analysis

MedKoo Cat#: 465009

Name: DS18561882

CAS#: 2227149-22-4

Chemical Formula: C28H31F3N4O6S

Exact Mass: 608.1916

Molecular Weight: 608.63

Elemental Analysis: C, 55.26; H, 5.13; F, 9.36; N, 9.21; O, 15.77; S, 5.27

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 #
2227149-22-4;
Synonym
DS18561882; DS 18561882; DS-18561882
IUPAC/Chemical Name
(S)-N-(4-(8-(3,4-Dimethylpiperazin-1-yl)-7-methyl-5-oxo-1,3,4,5-tetrahydro-2H-chromeno[3,4-c]pyridine-3-carbonyl)-2-(trifluoromethoxy)phenyl)methanesulfonamide
InChi Key
OQKAKSSZSQPTDZ-INIZCTEOSA-N
InChi Code
InChI=1S/C28H31F3N4O6S/c1-16-14-34(12-11-33(16)3)23-8-6-20-19-9-10-35(15-21(19)27(37)40-25(20)17(23)2)26(36)18-5-7-22(32-42(4,38)39)24(13-18)41-28(29,30)31/h5-8,13,16,32H,9-12,14-15H2,1-4H3/t16-/m0/s1
SMILES Code
CS(=O)(NC1=CC=C(C(N2CCC(C3=C(O4)C(C)=C(N5C[C@H](C)N(C)CC5)C=C3)=C(C4=O)C2)=O)C=C1OC(F)(F)F)=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
Shelf Life
>3 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 608.63 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: Kawai J, Toki T, Ota M, Inoue H, Takata Y, Asahi T, Suzuki M, Shimada T, Ono K, Suzuki K, Takaishi S, Ohki H, Matsui S, Tsutsumi S, Hirota Y, Nakayama K. Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity. J Med Chem. 2019 Nov 18. doi: 10.1021/acs.jmedchem.9b01113. [Epub ahead of print] PubMed PMID: 31638799.