MedKoo Cat#: 124411 | Name: Safusidenib free acid

Description:

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

Safusidenib, also known as DS-1001, is a novel selective mutant IDH1 inhibitor. Safusidenib prevents the aberrant conversion of α-ketoglutarate (α-KG) to D-2-hydroxyglutarate (D-2HG). Safusidenib helps reverse tumor-induced epigenetic reprogramming and restores normal cellular differentiation. Safusidenib showedbetter brain penetration, making it particularly promising for gliomas and other central nervous system (CNS) malignancies. Safusidenib is high selectivity for mIDH1 over wild-type IDH1 and IDH2. Safusidenib showed Potent D-2HG suppression in IDH1-mutant tumors, leading to differentiation of glioma cells. Safusidenib demonstrates CNS penetration, distinguishing it from other mIDH1 inhibitors like Ivosidenib (AG-120).

Chemical Structure

Safusidenib free acid
Safusidenib free acid
CAS#1898206-17-1 (free acid)

Theoretical Analysis

MedKoo Cat#: 124411

Name: Safusidenib free acid

CAS#: 1898206-17-1 (free acid)

Chemical Formula: C25H18Cl3FN2O4

Exact Mass: 534.0316

Molecular Weight: 535.78

Elemental Analysis: C, 56.04; H, 3.39; Cl, 19.85; F, 3.55; N, 5.23; O, 11.94

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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Synonym
Safusidenib; DS-1001B; DS 1001B; DS1001B; DS-1001; DS 1001; DS1001; AB291; AB-291; AB-291;
IUPAC/Chemical Name
(E)-3-[1-[5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)-1,2-oxazole-4-carbonyl]-3-methylindol-4-yl]prop-2-enoic acid
InChi Key
BOOMBLZEOHXPPX-BQYQJAHWSA-N
InChi Code
InChI=1S/C25H18Cl3FN2O4/c1-12-11-31(17-6-4-5-13(19(12)17)7-8-18(32)33)24(34)21-22(30-35-23(21)25(2,3)29)20-15(27)9-14(26)10-16(20)28/h4-11H,1-3H3,(H,32,33)/b8-7+
SMILES Code
O=C(O)/C=C/C1=CC=CC2=C1C(C)=CN2C(C3=C(C(C)(F)C)ON=C3C4=C(Cl)C=C(Cl)C=C4Cl)=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 535.78 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: Natsume A, Arakawa Y, Narita Y, Sugiyama K, Hata N, Muragaki Y, Shinojima N, Kumabe T, Saito R, Motomura K, Mineharu Y, Miyakita Y, Yamasaki F, Matsushita Y, Ichimura K, Ito K, Tachibana M, Kakurai Y, Okamoto N, Asahi T, Nishijima S, Yamaguchi T, Tsubouchi H, Nakamura H, Nishikawa R. The first-in-human phase I study of a brain-penetrant mutant IDH1 inhibitor DS-1001 in patients with recurrent or progressive IDH1-mutant gliomas. Neuro Oncol. 2023 Feb 14;25(2):326-336. doi: 10.1093/neuonc/noac155. PMID: 35722822; PMCID: PMC9925696. 2: Karpel-Massler G, Nguyen TTT, Shang E, Siegelin MD. Novel IDH1-Targeted Glioma Therapies. CNS Drugs. 2019 Dec;33(12):1155-1166. doi: 10.1007/s40263-019-00684-6. PMID: 31768950; PMCID: PMC7027940.