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MS 154

CAT: 0013-GTR19188540Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188540Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MS 154 is a cereblon-based PROTAC degrader that selectively targets mutant EGFR. It potently degrades mutant EGFR protein, inhibits downstream signaling, and suppresses proliferation in relevant lung cancer cell lines, while sparing wild-type EGFR cells. It has demonstrated bioavailability in mouse models following intraperitoneal administration.
CAS Number
2550393-21-8
Field of Research
Cardiovascular Research, Pharmacology & Drug Discovery, Signal Transduction
Smiles
O=C1C=2C (C (=O) N1C3C (=O) NC (=O) CC3) =CC=CC2OCCCCCCCCNC (CCN4CCN (CCCOC5=CC6=C (C=C5OC) N=CN=C6NC7=CC (Cl) =C (F) C=C7) CC4) =O
Molecular Formula
C46H54ClFN8O8
Molecular Weight
901.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(4-(3-((4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)propyl)piperazin-1-yl)-N-(8-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)octyl)propanamide
CAS Number2550393-21-8
PubChem CID145996534
IUPAC Name3-[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-N-[8-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyoctyl]propanamide
Molecular FormulaC46H54ClFN8O8
Molecular Weight901.4
XLogP5.9
Topological Polar Surface Area185
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count22
Heavy Atom Count64
Formal Charge0
Complexity1560
SMILES
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCN(CC4)CCC(=O)NCCCCCCCCOC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O
InChI
InChI=1S/C46H54ClFN8O8/c1-62-38-28-35-32(43(51-29-50-35)52-30-12-13-34(48)33(47)26-30)27-39(38)64-25-9-18-54-20-22-55(23-21-54)19-16-40(57)49-17-6-4-2-3-5-7-24-63-37-11-8-10-31-42(37)46(61)56(45(31)60)36-14-15-41(58)53-44(36)59/h8,10-13,26-29,36H,2-7,9,14-25H2,1H3,(H,49,57)(H,50,51,52)(H,53,58,59)
InChIKey
ALKKWBPMCDDKKA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-(3-((4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)propyl)piperazin-1-yl)-N-(8-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)octyl)propanamide
CAS: 2550393-21-8
CID: 145996534
Formula: C46H54ClFN8O8
MW: 901.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight901.4
XLogP35.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count22
Exact Mass900.3737166
Monoisotopic Mass900.3737166
Topological Polar Surface Area185 Ų
Heavy Atom Count64
Formal Charge0
Complexity1560
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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