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Lipid modifying kinases
(2R,6S)-11-[(3R)-3-methylmorpholin-4-yl]-1,7,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-dien-8-one , CAS No.R609355, Inhibitor of phosphatidylinositol 3-kinase catalytic subunit type 3

(2R,6S)-11-[(3R)-3-methylmorpholin-4-yl]-1,7,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-dien-8-one , CAS No.R609355, Inhibitor of phosphatidylinositol 3-kinase catalytic subunit type 3

Item Number

R609355

Grouped product items
SKU	Size	Availability	Price	Qty
R609355-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$286.90
R609355-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$940.90

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Basic Description

Synonyms	compound 5
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of phosphatidylinositol 3-kinase catalytic subunit type 3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

INCHI	InChI=1S/C14H20N4O2/c1-9-8-20-6-5-17(9)13-7-12-14(19)15-10-3-2-4-11(10)18(12)16-13/h7,9-11H,2-6,8H2,1H3,(H,15,19)/t9-,10+,11-/m1/s1
InChi Key	LQBRZKIUSVUXJP-OUAUKWLOSA-N
Canonical SMILES	C[C@@H]1COCCN1c1nn2[C@@H]3CCC[C@@H]3NC(=O)c2c1
Isomeric SMILES	C[C@@H]1COCCN1C2=NN3[C@@H]4CCC[C@@H]4NC(=O)C3=C2
PubChem CID	157049304

PubChem CID	157049304
RCSB PDB Ligand	7IQ

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1. Kuma A, Komatsu M, Mizushima N. (2017) Autophagy-monitoring and autophagy-deficient mice.. Autophagy, 13 (10): (1619-1628). [PMID:28820286]
2. Bilanges B, Alliouachene S, Pearce W, Morelli D, Szabadkai G, Chung YL, Chicanne G, Valet C, Hill JM, Voshol PJ et al.. (2017) Vps34 PI 3-kinase inactivation enhances insulin sensitivity through reprogramming of mitochondrial metabolism.. Nat Commun, 8 (1): (1804). [PMID:29180704]
3. Hu DX, Patel S, Chen H, Wang S, Staben ST, Dimitrova YN, Wallweber HA, Lee JY, Chan GKY, Sneeringer CJ et al.. (2021) Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.. J Med Chem, 129 (3): (589-97). [PMID:34779204]
4. Garcia-Barrantes PM. (2022) Selective VPS34 Inhibitors: High Efficiency Design by Profiting from Small Structural Differences.. J Med Chem, 129 (3): (589-97). [PMID:35998347]
5. Henley ZA, Amour A, Barton N, Bantscheff M, Bergamini G, Bertrand SM, Convery M, Down K, Dümpelfeld B, Edwards CD et al.. (2020) Optimization of Orally Bioavailable PI3Kδ Inhibitors and Identification of Vps34 as a Key Selectivity Target.. J Med Chem, 63 (2): (638-655). [PMID:31855425]

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