ZUN64390
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MedKoo CAT#: 555977

CAS#: 1911564-39-0

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).


Chemical Structure

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ZUN64390
CAS# 1911564-39-0

Theoretical Analysis

MedKoo Cat#: 555977
Name: ZUN64390
CAS#: 1911564-39-0
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

Price and Availability

Size Price Availability Quantity
500.0mg USD 2950.0 2 Weeks
1.0g USD 3950.0 2 Weeks
2.0g USD 5950.0 2 Weeks
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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

Preparing Stock Solutions

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.

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

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[1]. 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.

ZUN64390

500.0mg / USD 2950.0