MedKoo Cat#: 125914 | Name: Vorasidenib citrate

Description:

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

Vorasidenib, also known as AG-881, is a potent and selective orally available inhibitor of mutated forms of both isocitrate dehydrogenase type 1 (IDH1, IDH1 [NADP+] soluble) in the cytoplasm and type 2 (IDH2, isocitrate dehydrogenase [NADP+], mitochondrial) in the mitochondria, with potential antineoplastic activity. AG-881 specifically inhibits mutant forms of IDH1 and IDH2, thereby inhibiting the formation of the oncometabolite 2-hydroxyglutarate (2HG) from alpha-ketoglutarate (a-KG). This prevents 2HG-mediated signaling and leads to both an induction of cellular differentiation and an inhibition of cellular proliferation in tumor cells expressing IDH mutations.

Chemical Structure

Vorasidenib citrate
Vorasidenib citrate
CAS#2316810-02-1 (citrate)

Theoretical Analysis

MedKoo Cat#: 125914

Name: Vorasidenib citrate

CAS#: 2316810-02-1 (citrate)

Chemical Formula: C34H36Cl2F12N12O8

Exact Mass: 1038.1965

Molecular Weight: 1039.62

Elemental Analysis: C, 39.28; H, 3.49; Cl, 6.82; F, 21.93; N, 16.17; O, 12.31

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
Vorasidenib citrate; AG-881 citrate; Vorasidenib, AG-881, AG 881, AG881
IUPAC/Chemical Name
6-(6-chloropyridin-2-yl)-N2,N4-bis((R)-1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine hemi(2-hydroxypropane-1,2,3-tricarboxylate) hydrate
InChi Key
YOUTVRFNJAAFNS-DLVAHKFUSA-N
InChi Code
InChI=1S/2C14H13ClF6N6.C6H8O7.H2O/c2*1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21;7-3(8)1-6(13,5(11)12)2-4(9)10;/h2*3-7H,1-2H3,(H2,22,23,25,26,27);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2/t2*6-,7-;;/m11../s1
SMILES Code
O.OC(=O)CC(O)(CC(O)=O)C(O)=O.C[C@@H](NC1=NC(=NC(N[C@H](C)C(F)(F)F)=N1)C2=CC=CC(Cl)=N2)C(F)(F)F.C[C@@H](NC3=NC(=NC(N[C@H](C)C(F)(F)F)=N3)C4=CC=CC(Cl)=N4)C(F)(F)F
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 1,039.62 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: Chen J, Yang J, Cao P. The Evolving Landscape in the Development of Isocitrate Dehydrogenase Mutant Inhibitors. Mini Rev Med Chem. 2016;16(16):1344-1358. Review. PubMed PMID: 27292784.