IDH1 Inhibitor 3 | CAS#2171081-24-4 | IDH1 inhibitor

MedKoo Cat#: 462364 | Name: IDH1 Inhibitor 3

Description:

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

IDH1 Inhibitor 3 is a mutant isocitric dehydrogenase 1 (IDH1) inhibitor.

Chemical Structure

IDH1 Inhibitor 3

CAS#2171081-24-4

Theoretical Analysis

MedKoo Cat#: 462364

Name: IDH1 Inhibitor 3

CAS#: 2171081-24-4

Chemical Formula: C31H25F4N5O3

Exact Mass: 591.1894

Molecular Weight: 591.57

Elemental Analysis: C, 62.94; H, 4.26; F, 12.85; N, 11.84; O, 8.11

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.

Bulk Inquiry

Related CAS #

No Data

Synonym

IDH1 Inhibitor 3; IDH1-Inhibitor-3

IUPAC/Chemical Name

(R)-1-(4-cyanopyridin-2-yl)-N-((S)-1-((3,3-difluorocyclobutyl)carbamoyl)-2,3-dihydro-1H-inden-1-yl)-N-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide

InChi Key

ZHLSGVQIUSXPCO-NJHZRGNWSA-N

InChi Code

InChI=1S/C31H25F4N5O3/c32-20-12-21(33)14-23(13-20)40(28(42)25-5-6-27(41)39(25)26-11-18(17-36)8-10-37-26)31(9-7-19-3-1-2-4-24(19)31)29(43)38-22-15-30(34,35)16-22/h1-4,8,10-14,22,25H,5-7,9,15-16H2,(H,38,43)/t25-,31+/m1/s1

SMILES Code

O=C([C@@H](CC1)N(C2=NC=CC(C#N)=C2)C1=O)N([C@@]3(C(NC4CC(F)(F)C4)=O)CCC5=C3C=CC=C5)C6=CC(F)=CC(F)=C6

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 591.57 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.

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: Qiangang Zheng, et al. Discovery and structure-activity-relationship study of novel conformationally restricted indane analogues for mutant isocitric dehydrogenase 1 (IDH1) inhibitors. Bioorganic & Medicinal Chemistry Letters 27 (2017) 5262-5266.