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Ipatasertib dihydrochloride

CAT: 1568-C04204-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C04204-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1396257-94-5
Synonyms
GDC-0068 dihydrochloride, RG-7440 dihydrochloride
Additionnal Information
Ipatasertib dihydrochloride (GDC-0068 dihydrochloride) is a highly selective and ATP-competitive pan-Akt inhibitor with IC50s of 5, 18 and 8 nM for Akt1, Akt2 and Akt3, respectively.
Storage Conditions
3 years-20°C powder 2 years-80°C in solvent

Chemical Information

Ipatasertib dihydrochloride
CAS Number1396257-94-5
PubChem CID62707512
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;dihydrochloride
Molecular FormulaC24H34Cl3N5O2
Molecular Weight530.9
Topological Polar Surface Area81.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity622
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.Cl.Cl
InChI
InChI=1S/C24H32ClN5O2.2ClH/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;2*1H/t16-,19-,20-;;/m1../s1
InChIKey
SRKVNRNRVFDUTG-VISIQVHMSA-N
Chemical Structure
2D Structure
2D structure of Ipatasertib dihydrochloride
CAS: 1396257-94-5
CID: 62707512
Formula: C24H34Cl3N5O2
MW: 530.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass529.177808
Monoisotopic Mass529.177808
Topological Polar Surface Area81.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity622
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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MBS3846159-01Ipatasertib dihydrochloride
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A21734-50Ipatasertib dihydrochloride 50mg
A21734-2Ipatasertib dihydrochloride 2mg
GTR19189939Ipatasertib-NH2 dihydrochloride
A21734-500Ipatasertib dihydrochloride 500mg
A21734-100Ipatasertib dihydrochloride 100mg
A21734-10Ipatasertib dihydrochloride 10mg
A21734-1000Ipatasertib dihydrochloride 1g

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