PI3Kδ-IN-1

Cas No.:	1911564-39-0
Chemical Name:	pi3Kdelta-IN-1
Synonyms:	PI3Kdelta-IN-1;PI3K;A-IN-1;GTPL10001;compound 52 [PMID: 28541707];PI3Kδ-IN-1
SMILES:	FC(C1C([H])=C(C2C([H])=C([H])C(C#N)=C(C=2[H])N2C(C(C([H])([H])[H])(C([H])([H])[H])N(C(C([H])([H])[H])=O)C([H])([H])C2([H])[H])=O)N2C=1C(N([H])[H])=NC([H])=N2)(F)F
Formula:	C22H20F3N7O2
M.Wt:	471.4351
Purity:	>98%
Sotrage:	2 years -20°C Powder, 2 weeks 4°C in DMSO, 6 months -80°C in DMSO

Description:	PI3Kδ-IN-1 is a potent, selective, and efficacious PI3Kδ inhibitor with an IC50 of 1.7 nM.
Target:	IC50: 1.7 nM (PI3Kδ)[1]
In Vivo:	PI3Kδ-IN-1 (2, 5 mg/kg, orally b.i.d. for 42 days) shows greater than 50% suppression of paw swelling in mice. PI3Kδ-IN-1 has an EC50 of 10 nM at 24 h (ED50 of ∼1.25 mg/kg) in mice[1]. Animal Model: Male DBA/1 mice (20−25g)[1] Dosage: 0.5, 2, 5 mg/kg Administration: Oral b.i.d. for 42 days, Result: A dose dependent reduction of the clinical score was observed. Doses of 2 and 5 mg/kg showed greater than 50% suppression of paw swelling[1].
In Vitro:	PI3Kδ-IN-1 (compound 52) shows >100-fold selectivity over the other PI3K isoforms. Kinome selectivity is also excellent with >660-fold selectivity over MNK1 and others in HTRF assays. Importantly, PI3Kδ-IN-1 has an improved human/rodent in vitro stability correlation and a good permeability profile[1].
References:	[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.