MedKoo Cat#: 124900 | Name: Arfolitixorin monosulfate

Description:

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

Arfolitixorin is an antifolate modulator drug candidate.

Chemical Structure

Arfolitixorin monosulfate
Arfolitixorin monosulfate
CAS#149930-93-8 (6R-isomer sulfate)

Theoretical Analysis

MedKoo Cat#: 124900

Name: Arfolitixorin monosulfate

CAS#: 149930-93-8 (6R-isomer sulfate)

Chemical Formula: C20H25N7O10S

Exact Mass: 555.1400

Molecular Weight: 555.52

Elemental Analysis: C, 43.24; H, 4.54; N, 17.65; O, 28.80; S, 5.77

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
Arfolitixorin monosulfate; Arfolitixorin sulfate; Arfolitixorin (sulfate);
IUPAC/Chemical Name
(2S)-2-[[4-[(6aR)-3-amino-1-oxo-2,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl]benzoyl]amino]pentanedioic acid;sulfuric acid
InChi Key
GKJSPWCDMPVQHB-KZCZEQIWSA-N
InChi Code
InChI=1S/C20H23N7O6.H2O4S/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29;1-5(2,3)4/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31);(H2,1,2,3,4)/t12-,13+;/m1./s1
SMILES Code
O=C(O)[C@@H](NC(C1=CC=C(N2CN3C4=C(N=C(N)NC4=O)NC[C@]3([H])C2)C=C1)=O)CCC(O)=O.O=S(O)(O)=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 555.52 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: Glimelius B, Stintzing S, Marshall J, Yoshino T, de Gramont A. Metastatic colorectal cancer: Advances in the folate-fluoropyrimidine chemotherapy backbone. Cancer Treat Rev. 2021 Jul;98:102218. doi: 10.1016/j.ctrv.2021.102218. Epub 2021 May 4. PMID: 34015686. 2: Carlsson G, Koumarianou A, Guren TK, Haux J, Katsaounis P, Kentepozidis N, Pfeiffer P, Brændengen M, Mavroudis D, Taflin H, Skintemo L, Tell R, Papadimitriou C. A phase I/II study of arfolitixorin and 5-fluorouracil in combination with oxaliplatin (plus or minus bevacizumab) or irinotecan in metastatic colorectal cancer. ESMO Open. 2022 Oct;7(5):100589. doi: 10.1016/j.esmoop.2022.100589. Epub 2022 Sep 29. PMID: 36183444; PMCID: PMC9588906. 3: Taflin H, Odin E, Carlsson G, Tell R, Gustavsson B, Wettergren Y. Plasma deoxyuridine as a surrogate marker for toxicity and early clinical response in patients with metastatic colorectal cancer after 5-FU-based therapy in combination with arfolitixorin. Cancer Chemother Pharmacol. 2021 Jan;87(1):31-41. doi: 10.1007/s00280-020-04173-2. Epub 2020 Oct 24. PMID: 33099678; PMCID: PMC7801297.