INY-03-041

CAT: 0804-HY-133120-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-133120-01Size:1 mg

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Description

INY-03-041 is a potent, highly selective and PROTAC-based pan-AKT degrader consisting of the ATP-competitive AKT inhibitor Ipatasertib conjugated to Lenalidomide (HY-A0003, Cereblon ligand). INY-03-041 inhibits AKT1, AKT2 and AKT3 with IC50s of 2.0, 6.8 and 3.5 nM, respectively[1].

CAS Number

2503017-97-6

UNSPSC

12352005

Target

Akt; PROTACs

Type

Reference compound

Related Pathways

PI3K/Akt/mTOR; PROTAC

Applications

Cancer-Kinase/protease

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/iny-03-041.html

Purity

99.74

Solubility

DMSO : ≥ 100 mg/mL

Smiles

O=C(C(N(CC1=C2C=CC=C1CCCCCCCCCCNC[C@H](C3=CC=C(Cl)C=C3)C(N4CCN(C5=C([C@H](C)C[C@H]6O)C6=NC=N5)CC4)=O)C2=O)CC7)NC7=O

Molecular Formula

C44H56ClN7O5

Molecular Weight

798.41

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.|[2]Maira SM, et al. Identification and characterization of NVP-BKM120, an orally available pan-class I PI3-kinase inhibitor. Mol Cancer Ther. 2012 Feb;11 (2) :317-28.

Shipping Conditions

Blue Ice

Storage Conditions

-20°C (Powder, sealed storage, away from moisture)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

Akt1; Akt2; Akt3; Cereblon

Chemical Information

3-(4-(10-(((S)-2-(4-Chlorophenyl)-3-(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl)-3-oxopropyl)amino)decyl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione

CAS Number	2503017-97-6
PubChem CID	146014478
IUPAC Name	3-[7-[10-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]amino]decyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Molecular Formula	C44H56ClN7O5
Molecular Weight	798.4
XLogP	5.8
Topological Polar Surface Area	148
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	17
Heavy Atom Count	57
Formal Charge	0
Complexity	1360

SMILES

C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNCCCCCCCCCCC4=C5CN(C(=O)C5=CC=C4)C6CCC(=O)NC6=O)C7=CC=C(C=C7)Cl)O

InChI

InChI=1S/C44H56ClN7O5/c1-29-25-37(53)40-39(29)41(48-28-47-40)50-21-23-51(24-22-50)43(56)34(31-14-16-32(45)17-15-31)26-46-20-9-7-5-3-2-4-6-8-11-30-12-10-13-33-35(30)27-52(44(33)57)36-18-19-38(54)49-42(36)55/h10,12-17,28-29,34,36-37,46,53H,2-9,11,18-27H2,1H3,(H,49,54,55)/t29-,34-,36?,37-/m1/s1

InChIKey

GQGZWBDNMCIYSF-OZDCPDTESA-N

Chemical Structure

2D Structure

CAS: 2503017-97-6

CID: 146014478

Formula: C44H56ClN7O5

MW: 798.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	798.4
XLogP3	5.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	17
Exact Mass	797.4031456
Monoisotopic Mass	797.4031456
Topological Polar Surface Area	148 Å²
Heavy Atom Count	57
Formal Charge	0
Complexity	1360
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-124644-01	1E7-03
HY-164425	ENT-03
HY-153718	KI-ARv-03
HY-137346-01	DD-03-156
HY-111556-01	BSJ-03-123

Alternative Products

Catalog	Name
T11664-01	INY-03-041
T74001-01	INY-03-041 trihydrochloride
A23934-5	INY-03-041 5mg
A23934-10	INY-03-041 10mg
A23934-1	INY-03-041 1mg
BA8670-1	INY-05-040
A24101-50	INY-05-040 50mg
A24101-10	INY-05-040 10mg
A24101-1	INY-05-040 1mg
A24101-5	INY-05-040 5mg

INY-03-041

Chemical Information

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