Ipatasertib

Ipatasertib
Clinical data
Routes of; administration	PO
ATC code	None;
Identifiers
	IUPAC name (S)-2-(4-Chlorophenyl)-1-(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl)-3-(isopropylamino)propan-1-one;
CAS Number	1001264-89-6;
ChemSpider	28189084;
UNII	524Y3IB4HQ;
KEGG	D10641 ;
CompTox Dashboard (EPA)	DTXSID101025595 ;
Chemical and physical data
Formula	C24H32ClN5O2
Molar mass	458.00 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC(C)NC[C@@H](C(=O)N1CCN(CC1)C1=C2[C@H](C)C[C@@H](O)C2=NC=N1)C1=CC=C(Cl)C=C1;
	InChI InChI=1S/C24H32ClN5O2/c1-15(2)26-13-19(17-4-6-18(25)7-5-17)24(32)30-10-8-29(9-11-30)23-21-16(3)12-20(31)22(21)27-14-28-23/h4-7,14-16,19-20,26,31H,8-13H2,1-3H3/t16-,19-,20-/m1/s1; Key:GRZXWCHAXNAUHY-NSISKUIASA-N;

Ipatasertib (RG7440) is an experimental cancer drug in development by Roche. It is a small molecule inhibitor of AKT, which is a key component of the PI3K/AKT pathway. Ipatasertib was discovered by Genentech in collaboration with Array Biopharma and is currently in phase III trials for treatment of breast cancer.^[1]

In vitro, ipatasertib showed activity against all three isoforms of Akt.^[2]

References

^ Clinical trial number NCT02301988 for "A Study of Ipatasertib (GDC-0068) in Combination With Paclitaxel as Neoadjuvant Treatment for Participants With Early Stage Triple Negative Breast Cancer" at ClinicalTrials.gov
^ Lin J, Sampath D, Nannini MA, Lee BB, Degtyarev M, Oeh J, et al. (April 2013). "Targeting activated Akt with GDC-0068, a novel selective Akt inhibitor that is efficacious in multiple tumor models". Clinical Cancer Research. 19 (7): 1760–72. doi:10.1158/1078-0432.CCR-12-3072. PMID 23287563.

[1] Clinical trial number NCT02301988 for "A Study of Ipatasertib (GDC-0068) in Combination With Paclitaxel as Neoadjuvant Treatment for Participants With Early Stage Triple Negative Breast Cancer" at ClinicalTrials.gov

[pmid23287563-2] Lin J, Sampath D, Nannini MA, Lee BB, Degtyarev M, Oeh J, et al. (April 2013). "Targeting activated Akt with GDC-0068, a novel selective Akt inhibitor that is efficacious in multiple tumor models". Clinical Cancer Research. 19 (7): 1760–72. doi:10.1158/1078-0432.CCR-12-3072. PMID 23287563.

[1]

[2]

Clinical data

Routes of administration	PO
ATC code	None
Identifiers
IUPAC name (S)-2-(4-Chlorophenyl)-1-(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl)-3-(isopropylamino)propan-1-one
CAS Number	1001264-89-6
ChemSpider	28189084
UNII	524Y3IB4HQ
KEGG	D10641^Y
CompTox Dashboard (EPA)	DTXSID101025595
Chemical and physical data
Formula	C₂₄H₃₂ClN₅O₂
Molar mass	458.00 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CC(C)NC[C@@H](C(=O)N1CCN(CC1)C1=C2[C@H](C)C[C@@H](O)C2=NC=N1)C1=CC=C(Cl)C=C1
InChI InChI=1S/C24H32ClN5O2/c1-15(2)26-13-19(17-4-6-18(25)7-5-17)24(32)30-10-8-29(9-11-30)23-21-16(3)12-20(31)22(21)27-14-28-23/h4-7,14-16,19-20,26,31H,8-13H2,1-3H3/t16-,19-,20-/m1/s1 Key:GRZXWCHAXNAUHY-NSISKUIASA-N