MedKoo Cat#: 462555 | Name: (R,S)-Ivosidenib
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Description:

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

(R,S)-Ivosidenib is the less active enantiomer of Ivosidenib (AG-120).

Chemical Structure

(R,S)-Ivosidenib
(R,S)-Ivosidenib
CAS#2070009-31-1

Theoretical Analysis

MedKoo Cat#: 462555

Name: (R,S)-Ivosidenib

CAS#: 2070009-31-1

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

Price and Availability

Size Price Availability Quantity
5mg USD 300.00 2 Weeks
10mg USD 500.00 2 Weeks
50mg USD 950.00 2 Weeks
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Related CAS #
No Data
Synonym
(R,S)-Ivosidenib; (R,S)-AG-120
IUPAC/Chemical Name
(S)-N-((R)-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-WIOPSUGQSA-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
ClC1=CC=CC=C1[C@@H](N(C2=CC(F)=CN=C2)C([C@H]3N(C4=NC=CC(C#N)=C4)C(CC3)=O)=O)C(NC5CC(F)(F)C5)=O
Appearance
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
Shelf Life
>3 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
More Info

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.

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: Popovici-Muller J, Lemieux RM, Artin E, et al. Discovery of AG-120 (Ivosidenib): A First-in-Class Mutant IDH1 Inhibitor for the Treatment of IDH1 Mutant Cancers. ACS Med Chem Lett. 2018;9(4):300-305. Published 2018 Jan 19. doi:10.1021/acsmedchemlett.7b00421 2: Pauck, D. Drug screening to identify targeted therapies in atypical teratoid/rhabdoid tumors (Doctoral dissertation, Dissertation, Düsseldorf, Heinrich-Heine-Universität, 2024).