Products for Research Use Only
RegisterLogin

Ipatasertib-NH2

CAT: 0804-HY-130988-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-130988-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Ipatasertib-NH2 (GDC-0068-NH2; RG7440-NH2) is a ligand for target protein AKT for PROTAC (INY-03-041) . INY-03-041 is composed of Ipatasertib-NH2, a ten-hydrocarbon linker, and a CRBN ligand Lenalidomide for E3 ubiquitin ligase[1].
CAS Number
1001382-14-4
Product Name Alternative
GDC-0068-NH2; RG7440-NH2
UNSPSC
12352005
Target
Ligands for Target Protein for PROTAC
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ipatasertib-nh2.html
Concentration
10mM
Purity
99.64
Solubility
DMSO : 200 mg/mL (ultrasonic)
Smiles
O=C(N1CCN(C2=C([C@H](C)C[C@H]3O)C3=NC=N2)CC1)[C@@H](C4=CC=C(Cl)C=C4)CN
Molecular Formula
C21H26ClN5O2
Molecular Weight
415.92
References & Citations
[1]You I, et al. Discovery of an AKT Degrader with Prolonged Inhibition of Downstream Signaling. Cell Chem Biol. 2020 Jan 16;27 (1) :66-73.e7.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Ipatasertib-NH2
CAS Number1001382-14-4
PubChem CID59671144
IUPAC Name(2S)-3-amino-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
Molecular FormulaC21H26ClN5O2
Molecular Weight415.9
XLogP1.2
Topological Polar Surface Area95.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity565
SMILES
C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CN)C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C21H26ClN5O2/c1-13-10-17(28)19-18(13)20(25-12-24-19)26-6-8-27(9-7-26)21(29)16(11-23)14-2-4-15(22)5-3-14/h2-5,12-13,16-17,28H,6-11,23H2,1H3/t13-,16-,17-/m1/s1
InChIKey
FKWGZLUCQAOQDJ-KBRIMQKVSA-N
Chemical Structure
2D Structure
2D structure of Ipatasertib-NH2
CAS: 1001382-14-4
CID: 59671144
Formula: C21H26ClN5O2
MW: 415.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.9
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass415.1775028
Monoisotopic Mass415.1775028
Topological Polar Surface Area95.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity565
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-15186-01Ipatasertib
HY-15186CIpatasertib (tosylate)
HY-15186A-01Ipatasertib (dihydrochloride)
HY-138523NH2-PEG3500-NH2
HY-W339437NH2-C3-PEG2-NH2
HY-W451406DNH2-PEG-NH2 (MW 10000)
HY-W451406A-01NH2-PEG-NH2 (MW 5000)
HY-W451406C-01NH2-PEG-NH2 (MW 2000)
HY-W451406BNH2-PEG-NH2 (MW 1000)
HY-128931NH2-Ph-C4-acid-NH2-Me

Alternative Products

CatalogName
GTR19225558-01Ipatasertib-NH2
GTR19189939Ipatasertib-NH2 dihydrochloride
bs-83006C-01Ipatasertib
C04204-5mgIpatasertib dihydrochloride
T27621-01Ipatasertib HCl
TRC-C377872-25MGIpatasertib-D7
A21734-50Ipatasertib dihydrochloride 50mg

Popular Products