AG-120 (racemic)

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MedKoo CAT#: 206148

CAS#: 1448346-63-1 (AG-120 racemic)

Description: AG-120 (racemic), a racemic mixture of AG-120, is an orally available inhibitor of isocitrate dehydrogenase type 1 (IDH1), with potential antineoplastic activity. Upon administration, AG-120 specifically inhibits a mutated form of IDH1 in the cytoplasm, which inhibits the formation of the oncometabolite, 2-hydroxyglutarate (2HG). This may lead to both an induction of cellular differentiation and an inhibition of cellular proliferation in IDH1-expressing tumor cells.


Chemical Structure

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AG-120 (racemic)
CAS# 1448346-63-1 (AG-120 racemic)

Theoretical Analysis

MedKoo Cat#: 206148
Name: AG-120 (racemic)
CAS#: 1448346-63-1 (AG-120 racemic)
Chemical Formula: C28H22ClF3N6O3
Exact Mass: 582.1394
Molecular Weight: 582.97
Elemental Analysis: C, 57.69; H, 3.80; Cl, 6.08; F, 9.78; N, 14.42; O, 8.23

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Pricing updated 2021-02-28. Prices are subject to change without notice.

AG-120 (racemic), purity > 98%, is out of stock. We can re-make a new batch. Lead time is about 2 months. For cost-effective reason, we request minimum order 1g. We will not accept orders which is less than 1g. Please email sales@medkoo.com to inquire quote. Customer may buy cat#206507 [AC120 or Ivosidenib].The product web page is : https://www.medkoo.com/products/7452.

Related CAS #: 1448347-49-6 (Ivosidenib)   1448346-63-1 (AG-120 racemic)  

Synonym: AG-120 (racemic); AG120; AG 120; AG-120; RG-120 (racemic); RG-120, RG 120; Ivosidenib (racemic);

IUPAC/Chemical Name: (2S)-N-(1-(2-chlorophenyl)-2-((3,3-difluorocyclobutyl)amino)-2-oxoethyl)-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide

InChi Key: WIJZXSAJMHAVGX-XADRRFQNSA-N

InChi Code: InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25?/m0/s1

SMILES Code: O=C([C@H](CC1)N(C2=NC=CC(C#N)=C2)C1=O)N(C(C3=CC=CC=C3Cl)C(NC4CC(F)(F)C4)=O)C5=CC(F)=CN=C5

Appearance:
White to off-white solid powder

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:
Soluble in DMSO, not in water

Shelf Life:
>2 years if stored properly

Drug Formulation:
This drug may be formulated in DMSO

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

Preparing Stock Solutions

The following data is based on the product molecular weight 582.97 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.

Select a batch to recalculate based on the batch molecular weight:
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

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1: Birendra KC, DiNardo CD. Evidence for Clinical Differentiation and Differentiation Syndrome in Patients With Acute Myeloid Leukemia and IDH1 Mutations Treated With the Targeted Mutant IDH1 Inhibitor, AG-120. Clin Lymphoma Myeloma Leuk. 2016 Aug;16(8):460-5. doi: 10.1016/j.clml.2016.04.006. PubMed PMID: 27245312; PubMed Central PMCID: PMC4983480.

2: Brody JR, Yabar CS, Zarei M, Bender J, Matrisian LM, Rahib L, Heartwell C, Mason K, Yeo CJ, Peiper SC, Jiang W, Varieur K, Madhavan S, Petricoin E 3rd, Fortuna D, Curtis M, Wang ZX, Pishvaian MJ, Winter JM. Identification of a novel metabolic-related mutation (IDH1) in metastatic pancreatic cancer. Cancer Biol Ther. 2016 Jul 28:0. [Epub ahead of print] PubMed PMID: 27466707.

3: Caino MC, Altieri DC. Molecular Pathways: Mitochondrial Reprogramming in Tumor Progression and Therapy. Clin Cancer Res. 2016 Feb 1;22(3):540-5. doi: 10.1158/1078-0432.CCR-15-0460. Review. PubMed PMID: 26660517; PubMed Central PMCID: PMC4738153.

4: 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. PubMed PMID: 27292784.

5: Cuyàs E, Fernández-Arroyo S, Corominas-Faja B, Rodríguez-Gallego E, Bosch-Barrera J, Martin-Castillo B, De Llorens R, Joven J, Menendez JA. Oncometabolic mutation IDH1 R132H confers a metformin-hypersensitive phenotype. Oncotarget. 2015 May 20;6(14):12279-96. PubMed PMID: 25980580; PubMed Central PMCID: PMC4494938.

6: IDH1 inhibitor shows promising early results. Cancer Discov. 2015 Jan;5(1):4. doi: 10.1158/2159-8290.CD-NB2014-178. PubMed PMID: 25583779.

7: Lippi G, Franchini M, Targher G, Poli G, Guidi GC. The significance of evaluating conventional inflammatory markers in Von Willebrand factor measurement. Clin Chim Acta. 2007 Jun;381(2):167-70. PubMed PMID: 17433810.

8: Mayer A, Schatz GC. Enhanced polarizability of aromatic molecules placed in the vicinity of silver clusters. J Phys Condens Matter. 2009 Aug 12;21(32):325301. doi: 10.1088/0953-8984/21/32/325301. PubMed PMID: 21693964.

9: Mayer A, González AL, Aikens CM, Schatz GC. A charge-dipole interaction model for the frequency-dependent polarizability of silver clusters. Nanotechnology. 2009 May 13;20(19):195204. doi: 10.1088/0957-4484/20/19/195204. PubMed PMID: 19420635.

10: Yang X, Cai W, Shao X. Structural variation of silver clusters from Ag13 to Ag160. J Phys Chem A. 2007 Jun 14;111(23):5048-56. PubMed PMID: 17516636.



Additional Information

  Note:
AC120 and Ivosidenib have the same molecule formula and molecule weight.
Ivosidenib has CAS#1448347-49-6, is a S,S-isomer.
AC120 has CAS#1448346-63-1, is a racemic.