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MedKoo Cat#: 130557 | Name: TH9028

Description:

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

TH9028 is a novel, potent, and selective inhibitor of THFD2, a folate metabolism enzyme.

Chemical Structure

TH9028
TH9028
CAS#2379556-15-5

Theoretical Analysis

MedKoo Cat#: 130557

Name: TH9028

CAS#: 2379556-15-5

Chemical Formula: C17H19N11O5

Exact Mass: 457.1571

Molecular Weight: 457.41

Elemental Analysis: C, 44.64; H, 4.19; N, 33.68; O, 17.49

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 #
No Data
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

Preparing Stock Solutions

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.

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. 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.