KHK-IN-2 is a potent and selective ketohexokinase (KHK) inhibitor with an IC50 of 0.45 μM.

Product information

CAS Number: 2135304-43-5

Molecular Weight: 371.33

Formula: C16H18F3N4O3

Chemical Name: 6-[(3S)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile

Smiles: C[C@@]1(O)CN(CC1)C1=NC(=CC(=C1C#N)C(F)(F)F)N1C[C](O)[C@@H](O)C1 |^1:21|

InChiKey: XMQCHKGRGRRDKJ-NHYWBVRUSA-N

InChi: InChI=1S/C16H18F3N4O3/c1-15(26)2-3-22(8-15)14-9(5-20)10(16(17,18)19)4-13(21-14)23-6-11(24)12(25)7-23/h4,11,24-26H,2-3,6-8H2,1H3/t11-,15-/m0/s1

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: DMSO : 250 mg/mL (671.43 mM; Need ultrasonic).

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

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