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5-((R)-4-((R)-3-Methylmorpholino)-5a,6,8,9-tetrahydro-5H-pyrimido[5',4':4,5]pyrrolo[2,1-c][1,4]oxazin-2-yl)pyrazin-2-amine , CAS No.R608674, Inhibitor of mechanistic target of rapamycin kinase;Inhibitor of phosphatidylinositol 3-kinase catalytic subunit type 3;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha;Inhibitor of phosphatidylinositol-4;5-bisphosphate

Moligand™

PubChem CID: 139030535

Item Number

R608674

Grouped product items
SKU	Size	Availability	Price	Qty
R608674-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$570.90
R608674-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

View related series

mechanistic target of rapamycin kinase Inhibitor phosphatidylinositol 3-kinase catalytic subunit type 3 Inhibitor phosphatidylinositol-4，5-bisphosphate 3-kinase catalytic subunit alpha Inhibitor phosphatidylinositol-4，5-bisphosphate 3-kinase catalytic subunit beta Inhibitor

Basic Description

Synonyms	compound 12b
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of mechanistic target of rapamycin kinase;Inhibitor of phosphatidylinositol 3-kinase catalytic subunit type 3;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha;Inhibitor of phosphatidylinositol-4;5-bisphosphate

Associated Targets

CYP1A2 Tchem Cytochrome P450 1A2 0 Activities

Discover Target: CYP1A2

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

RPTOR Tbio Regulatory-associated protein of mTOR 0 Activities

Discover Target: RPTOR

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

ABCB1 Tchem Multidrug resistance protein 1 0 Activities

Discover Target: ABCB1

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

MAPKAP1 Tbio Target of rapamycin complex 2 subunit MAPKAP1 0 Activities

Discover Target: MAPKAP1

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

PIK3CG Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 0 Activities

Discover Target: PIK3CG

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

PIK3CA Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 0 Activities

Discover Target: PIK3CA

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

PIK3CB Tchem Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform 0 Activities

Discover Target: PIK3CB

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

PIK3CD Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 0 Activities

Discover Target: PIK3CD

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

PI4KB Tchem Phosphatidylinositol 4-kinase beta 0 Activities

Discover Target: PI4KB

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

PIK3C3 Tchem Phosphatidylinositol 3-kinase catalytic subunit type 3 0 Activities

Discover Target: PIK3C3

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

CYP1A1 Tchem Cytochrome P450 1A1 0 Activities

Discover Target: CYP1A1

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

MTOR Tclin Serine/threonine-protein kinase mTOR 2 Activities

Discover Target: MTOR

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

Names and Identifiers

IUPAC Name	5-((R)-4-((R)-3-Methylmorpholino)-5a,6,8,9-tetrahydro-5H-pyrimido[5',4':4,5]pyrrolo[2,1-c][1,4]oxazin-2-yl)pyrazin-2-amine
INCHI	InChI=1S/C18H23N7O2/c1-11-9-26-4-2-24(11)17-13-6-12-10-27-5-3-25(12)18(13)23-16(22-17)14-7-21-15(19)8-20-14/h7-8,11-12H,2-6,9-10H2,1H3,(H2,19,21)/t11-,12-/m1/s1
InChi Key	KUZSBKJSGSKPJH-VXGBXAGGSA-N
Canonical SMILES	Nc1ncc(nc1)c1nc(N2CCOC[C@H]2C)c2c(n1)N1CCOC[C@H]1C2
Isomeric SMILES	C[C@@H]1COCCN1C2=C3C[C@@H]4COCCN4C3=NC(=N2)C5=CN=C(C=N5)N
PubChem CID	139030535

References

1. Borsari C, Rageot D, Dall'Asen A, Bohnacker T, Melone A, Sele AM, Jackson E, Langlois JB, Beaufils F, Hebeisen P et al.. (2019) A Conformational Restriction Strategy for the Identification of a Highly Selective Pyrimido-pyrrolo-oxazine mTOR Inhibitor.. J Med Chem, 62 (18): (8609-8630). [PMID:31465220]

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