MS170

CAT: 0931-T39928Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T39928Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2376136-61-5

Target

PROTACs, Akt

Related Pathways

PROTAC, PI3K/Akt/mTOR signaling, Cytoskeletal Signaling

Bioactivity

MS170 is a highly effective and specific PROTAC AKT degrader compound that exhibits potent activity. It efficiently reduces the levels of total AKT (T-AKT) within cells, with a DC 50 value of 32 nM. Furthermore, MS170 demonstrates strong binding affinity towards AKT isoforms, specifically AKT1, AKT2, and AKT3, with respective dissociation constants (Kd) of 1.3 nM, 77 nM, and 6.5 nM.This compound is unstable in powder form and other related salt forms are recommended.

Smiles

C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNCCC(=O)NCCCCCCCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c3ccc(Cl)cc3)c12

Molecular Formula

C45H56ClN9O7

Molecular Weight

870.45

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

CID 155410759

CAS Number	2376136-61-5
PubChem CID	155410759
IUPAC Name	3-[[(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]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]propanamide
Molecular Formula	C45H56ClN9O7
Molecular Weight	870.4
XLogP	3.9
Topological Polar Surface Area	206
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	19
Heavy Atom Count	62
Formal Charge	0
Complexity	1580

SMILES

C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNCCC(=O)NCCCCCCCCNC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)C7=CC=C(C=C7)Cl)O

InChI

InChI=1S/C45H56ClN9O7/c1-28-25-35(56)40-38(28)41(51-27-50-40)53-21-23-54(24-22-53)43(60)32(29-11-13-30(46)14-12-29)26-47-20-17-36(57)49-19-7-5-3-2-4-6-18-48-33-10-8-9-31-39(33)45(62)55(44(31)61)34-15-16-37(58)52-42(34)59/h8-14,27-28,32,34-35,47-48,56H,2-7,15-26H2,1H3,(H,49,57)(H,52,58,59)/t28-,32-,34?,35-/m1/s1

InChIKey

QMLFGZYEQAMKRK-SCQVZNLVSA-N

Chemical Structure

2D Structure

CAS: 2376136-61-5

CID: 155410759

Formula: C45H56ClN9O7

MW: 870.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	870.4
XLogP3	3.9
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	19
Exact Mass	869.3991229
Monoisotopic Mass	869.3991229
Topological Polar Surface Area	206 Å²
Heavy Atom Count	62
Formal Charge	0
Complexity	1580
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

Alternative Products

Catalog	Name
GTR19189182	MS170

MS170

Chemical Information

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