WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H130557
CAS#: 2379556-15-5
Description: TH9028 is a novel, potent, and selective inhibitor of THFD2, a folate metabolism enzyme.
Hodoodo Cat#: H130557
Name: TH9028
CAS#: 2379556-15-5
Chemical Formula: C17H19N11O5
Exact Mass: 457.16
Molecular Weight: 457.410
Elemental Analysis: C, 44.64; H, 4.19; N, 33.68; O, 17.49
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Synonym: TH-9028, TH 9028
IUPAC/Chemical Name: (S)-2-(5-(3-(4,6-Diamino-2-oxo-1,2-dihydropyridin-3-yl)ureido)picolinamido)-4-(1H-tetrazol-5-yl)butanoic acid
InChi Key: UXCIKEDZYYPPIP-JTQLQIEISA-N
InChi Code: InChI=1S/C17H19N11O5/c18-8-5-11(19)23-15(30)13(8)24-17(33)21-7-1-2-9(20-6-7)14(29)22-10(16(31)32)3-4-12-25-27-28-26-12/h1-2,5-6,10H,3-4H2,(H,22,29)(H,31,32)(H2,21,24,33)(H5,18,19,23,30)(H,25,26,27,28)/t10-/m0/s1
SMILES Code: O=C(O)[C@@H](NC(C1=NC=C(NC(NC2=C(N)C=C(N)NC2=O)=O)C=C1)=O)CCC3=NN=NN3
Appearance: To be determined
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:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 457.41 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 |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
1. Bonagas N, Gustafsson NMS, Henriksson M, Marttila P, Gustafsson R, Wiita E, Borhade S, Green AC, Vallin KSA, Sarno A, Svensson R, Göktürk C, Pham T, Jemth AS, Loseva O, Cookson V, Kiweler N, Sandberg L, Rasti A, Unterlass JE, Haraldsson M, Andersson Y, Scaletti ER, Bengtsson C, Paulin CBJ, Sanjiv K, Abdurakhmanov E, Pudelko L, Kunz B, Desroses M, Iliev P, Färnegårdh K, Krämer A, Garg N, Michel M, Häggblad S, Jarvius M, Kalderén C, Jensen AB, Almlöf I, Karsten S, Zhang SM, Häggblad M, Eriksson A, Liu J, Glinghammar B, Nekhotiaeva N, Klingegård F, Koolmeister T, Martens U, Llona-Minguez S, Moulson R, Nordström H, Parrow V, Dahllund L, Sjöberg B, Vargas IL, Vo DD, Wannberg J, Knapp S, Krokan HE, Arvidsson PI, Scobie M, Meiser J, Stenmark P, Berglund UW, Homan EJ, Helleday T. Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress. Nat Cancer. 2022 Feb;3(2):156-172. doi: 10.1038/s43018-022-00331-y. Epub 2022 Feb 28. PMID: 35228749; PMCID: PMC8885417.
