GDC-0068 (RG7440)

CAT: 0607-A3006-SSize: Evaluation SampleDry Ice: NoHazardous: No

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Description

Pan-AKT inhibitor,highly selective

CAS Number

1001264-89-6

Product Name Alternative

(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one

Sequence

GDC0068,RG7440,CS0975

Field of Research

PI3K Akt mTOR Signaling Akt

Purity

0.9906

Form

A solid

Solubility

≥22.9 mg/mL in DMSO; insoluble in H2O; ≥28.35 mg/mL in EtOH

Smiles

CC1CC(C2=C1C(=NC=N2)N3CCN(CC3)C(=O)C(CNC(C)C)C4=CC=C(C=C4)Cl)O

Molecular Formula

C24H32ClN5O2

Molecular Weight

458

Shipping Conditions

Blue ice

Storage Conditions

Desiccate at -20°C.

Chemical Information

Ipatasertib

(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.

CAS Number	1001264-89-6
PubChem CID	24788740
IUPAC Name	(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
Molecular Formula	C24H32ClN5O2
Molecular Weight	458.0
XLogP	2.5
Topological Polar Surface Area	81.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	32
Formal Charge	0
Complexity	622

SMILES

C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O

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

InChIKey

GRZXWCHAXNAUHY-NSISKUIASA-N

Chemical Structure

2D Structure

CAS: 1001264-89-6

CID: 24788740

Formula: C24H32ClN5O2

MW: 458.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
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 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	622
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
2667-5	GDC-0068
MBS132289-01	GDC 0068
S2808-10mg	Ipatasertib (GDC-0068)
A11246-5	GDC-0068 5mg
GTR19216115-01	GDC-0068 (dihydrochloride)
474101	GDC-0068 diHCl
RM-I250000-01	Ipatasertib; Gdc-0068
A11246-25	GDC-0068 25mg
A11246-10	GDC-0068 10mg
MBS384005-01	GDC-0068 (Ipatasertib, RG-7440)

GDC-0068 (RG7440)

Chemical Information

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