WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 555977
Description: ZUN64390, also known as PI3Kδ-IN-1, is a potent, selective, and efficacious PI3Kδ inhibitor with an IC50 of 1.7 nM. ZUN64390 was first reported in J Med Chem. 2017 Jun 22;60(12):5193-5208. This product has not formal name. For the convenience of scientific communication, we named it by combining its Inchi key (3 letters from the first letter of each section) with the last 5 digits of its CAS number or its molecule weight if its CAS number is not available (see MedKoo Chemical Nomenclature, https://www.medkoo.com/page/naming).
MedKoo Cat#: 555977
Chemical Formula: C22H20F3N7O2
Exact Mass: 471.1631
Molecular Weight: 471.4442
Elemental Analysis: C, 56.05; H, 4.28; F, 12.09; N, 20.80; O, 6.79
Synonym: PI3Kδ-IN-1; PI3Kδ-IN 1; ZUN64390; ZUN-64390; ZUN 64390;
IUPAC/Chemical Name: 2-(4-acetyl-3,3-dimethyl-2-oxopiperazin-1-yl)-4-(4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl)benzonitrile
InChi Key: ZDXIDBRGTYDHBQ-UHFFFAOYSA-N
InChi Code: InChI=1S/C22H20F3N7O2/c1-12(33)31-7-6-30(20(34)21(31,2)3)16-8-13(4-5-14(16)10-26)17-9-15(22(23,24)25)18-19(27)28-11-29-32(17)18/h4-5,8-9,11H,6-7H2,1-3H3,(H2,27,28,29)
SMILES Code: NC1=NC=NN2C1=C(C(F)(F)F)C=C2C3=CC=C(C#N)C(N4CCN(C(C)=O)C(C)(C)C4=O)=C3
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: 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
The following data is based on the product molecular weight 471.4442 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|
. Liu Q, et al. Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase δ (PI3Kδ) Inhibitor for the Treatment of Immunological Disorders. J Med Chem. 2017 Jun 22;60(12):5193-5208.