MedKoo Cat#: 150020 | Name: IHMT-IDH1-053

Description:

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

IHMT-IDH1-053 is a IDH1 mutant selective inhibitor. IHMT-IDH1-053 displays high selectivity against IDH1 mutants. IHMT-IDH1-053 provides a novel approach for designing irreversible IDH1 inhibitors.

Chemical Structure

IHMT-IDH1-053
IHMT-IDH1-053
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 150020

Name: IHMT-IDH1-053

CAS#: N/A

Chemical Formula: C25H33FN6O4S

Exact Mass: 532.2268

Molecular Weight: 532.64

Elemental Analysis: C, 56.38; H, 6.25; F, 3.57; N, 15.78; O, 12.01; S, 6.02

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 #
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Synonym
IHMT-IDH1-053; IHMTIDH1053; IHMT IDH1 053;
IUPAC/Chemical Name
N-(1-(4-((S)-1-((5-Fluoro-4-((S)-4-isopropyl-2-oxooxazolidin-3-yl)pyrimidin-2-yl)amino)ethyl)phenyl)piperidin-4-yl)ethenesulfonamide
InChi Key
ZUPHYBXQUOQKRE-HTAPYJJXSA-N
InChi Code
1S/C25H33FN6O4S/c1-5-37(34,35)30-19-10-12-31(13-11-19)20-8-6-18(7-9-20)17(4)28-24-27-14-21(26)23(29-24)32-22(16(2)3)15-36-25(32)33/h5-9,14,16-17,19,22,30H,1,10-13,15H2,2-4H3,(H,27,28,29)/t17-,22+/m0/s1
SMILES Code
C=CS(=O)(NC1CCN(C2=CC=C([C@@H](NC3=NC=C(F)C(N4C(OC[C@@H]4C(C)C)=O)=N3)C)C=C2)CC1)=O
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 532.64 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: Liang Q, Wang B, Zou F, Guo G, Wang W, Wang W, Liu Q, Shen L, Hu C, Wang W, Wang A, Huang T, He Y, Xia R, Ge J, Liu J, Liu Q. Structure-based discovery of IHMT-IDH1-053 as a potent irreversible IDH1 mutant selective inhibitor. Eur J Med Chem. 2023 Aug 5;256:115411. doi: 10.1016/j.ejmech.2023.115411. Epub 2023 May 12. PMID: 37209613.