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MS170

CAT: 0013-GTR19189182Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189182Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MS170 is a potent and specific PROTAC AKT degrader with a DC50 of 32 nM for total AKT reduction. It binds AKT1, AKT2, and AKT3 with high affinity (Kd values of 1.3, 77, and 6.5 nM, respectively) . This tool compound is useful for investigating AKT signaling in cancer research models, both in vitro and in vivo.
CAS Number
2376136-61-5
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
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
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 155410759
CAS Number2376136-61-5
PubChem CID155410759
IUPAC Name3-[[(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 FormulaC45H56ClN9O7
Molecular Weight870.4
XLogP3.9
Topological Polar Surface Area206
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count19
Heavy Atom Count62
Formal Charge0
Complexity1580
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
2D structure of CID 155410759
CAS: 2376136-61-5
CID: 155410759
Formula: C45H56ClN9O7
MW: 870.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight870.4
XLogP33.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count19
Exact Mass869.3991229
Monoisotopic Mass869.3991229
Topological Polar Surface Area206 Ų
Heavy Atom Count62
Formal Charge0
Complexity1580
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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