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GDC 0068

GDC 0068 structure

CAS No:
1001264-89-6
Formula:
C24H32ClN5O2
Chemical Name:
GDC 0068
Synonyms:
1-Propanone,2-(4-chlorophenyl)-1-[4-[(5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl]-1-piperazinyl]-3-[(1-methylethyl)amino]-,(2S)-;(2S)-2-(4-Chlorophenyl)-1-[4-[(5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl]-1-piperazinyl]-3-[(1-methylethyl)amino]-1-propanone;GDC 0068;Ipatasertib;RG 7440;RG7440;RG-7440;1417449-25-2
Categories:
Biochemical Engineering > Inhibitors

Description

Ipatasertib (GDC-0068) is a highly selective and ATP-competitive pan-Akt inhibitor with IC50s of 5, 18 and 8 nM for Akt1, Akt2 and Akt3, respectively.

(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-piperazinyl]-3-(propan-2-ylamino)-1-propanone is a N-arylpiperazine.|Ipatasertib has been used in trials studying the treatment of Cancer, Neoplasms, Solid Cancers, Breast Cancer, and Gastric Cancer, among others.|Ipatasertib is an orally bioavailable inhibitor of the serine/threonine protein kinase Akt (protein kinase B) with potential antineoplastic activity. Ipatasertib binds to and inhibits the activity of Akt in a non-ATP-competitive manner, which may result in the inhibition of the PI3K/Akt signaling pathway and tumor cell proliferation and the induction of tumor cell apoptosis. Activation of the PI3K/Akt signaling pathway is frequently associated with tumorigenesis and dysregulated PI3K/Akt signaling may contribute to tumor resistance to a variety of antineoplastic agents.

GDC 0068 Basic Attributes

Molecular Weight：

457.99618

Exact Mass：

458.00

UNII：

524Y3IB4HQ

NCI Thesaurus Code：

C91072

Characteristics

PSA：

81.6

XLogP3：

2.5

Density：

1.254

Boiling Point：

669.4±55.0 °C(Predicted)

Flash Point：

358.7±31.5 °C

Refractive Index：

1.603

Water Solubility：

Soluble in DMSO.

Drug Information

Drug Indication：

Treatment of breast cancer, Treatment of prostate cancer

MeSH Entry Terms：

2-(4-chlorophenyl)-1-(4-(7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidin-4-yl)piperazin-1-yl)-3-(isopropylamino)propan-1-one

GDC 0068 Use and Manufacturing

Uses

(2S)-2-(4-Chlorophenyl)-1-[4-[(5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl]-1-piperazinyl]-3-[(1-methylethyl)amino]-1-propanone is a highly selective AKT inhibitor targeting Akt1, Akt2 and Akt3. Studies have shown its use in combination with vemurafenib (V118500), have demonstrated therapeutic value in the treatment of hyperproliferative disorders such as cancer.

Use Classification：

Human Drugs -> EU pediatric investigation plans

Computed Properties

Molecular Weight:458.0
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:457.2244530
Monoisotopic Mass:457.2244530
Topological Polar Surface Area:81.6
Heavy Atom Count:32
Complexity:622
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1001264-89-6

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