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PROTAC SMARCA2 degrader-27

CAT: 0804-HY-168229Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-168229Size:1 Each
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Description
PROTAC SMARCA2 degrader-27 (compound 4) is a PROTAC SMARCA2 degrader. PROTAC SMARCA2 degrader-27 has the potential to be used in cancer research (Pink: SMARCA2 ligand ; Blue: VHL ligand (HY-168232) ; Black: linker (HY-168231) ).
CAS Number
2410314-57-5
UNSPSC
12352005
Target
PROTACs; SWI/SNF Complex
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/protac-smarca2-degrader-27.html
Smiles
NC(N=N1)=C(N2CC3N(C4=CC(O[C@@H]5C[C@@H](OC6CCN(CC7CCN(C8=NOC([C@H](C(N9C[C@H](O)C[C@H]9C(N[C@H](C%10=CC(F)=C(C#N)C=C%10)C)=O)=O)C(C)C)=C8)CC7)CC6)C5)=NC=C4)C(CC3)C2)C=C1C%11=CC=CC=C%11O
Molecular Formula
C58H71FN12O7
Molecular Weight
1067.26
References & Citations
[1]Michael Berlin, et al. Brm targeting compounds and associated methods of use. WO2023097031.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Von Hippel-Lindau (VHL)

Chemical Information

(2S,4R)-1-[(2R)-2-[3-[4-[[4-[3-[[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-N-[(1S)-1-(4-cyano-3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CAS Number2410314-57-5
PubChem CID146340227
IUPAC Name(2S,4R)-1-[(2R)-2-[3-[4-[[4-[3-[[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-N-[(1S)-1-(4-cyano-3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
Molecular FormulaC58H71FN12O7
Molecular Weight1067.3
XLogP6.2
Topological Polar Surface Area236
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count18
Rotatable Bond Count16
Heavy Atom Count78
Formal Charge0
Complexity2030
SMILES
C[C@@H](C1=CC(=C(C=C1)C#N)F)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](C3=CC(=NO3)N4CCC(CC4)CN5CCC(CC5)OC6CC(C6)OC7=NC=CC(=C7)N8C9CCC8CN(C9)C1=CC(=NN=C1N)C1=CC=CC=C1O)C(C)C)O
InChI
InChI=1S/C58H71FN12O7/c1-34(2)55(58(75)70-33-42(72)24-50(70)57(74)63-35(3)37-8-9-38(29-60)47(59)22-37)52-28-53(66-78-52)68-20-13-36(14-21-68)30-67-18-15-43(16-19-67)76-44-25-45(26-44)77-54-23-39(12-17-62-54)71-40-10-11-41(71)32-69(31-40)49-27-48(64-65-56(49)61)46-6-4-5-7-51(46)73/h4-9,12,17,22-23,27-28,34-36,40-45,50,55,72-73H,10-11,13-16,18-21,24-26,30-33H2,1-3H3,(H2,61,65)(H,63,74)/t35-,40?,41?,42+,44?,45?,50-,55+/m0/s1
InChIKey
DODCEQXYJKRLRX-DGWWUMGRSA-N
Chemical Structure
2D Structure
2D structure of (2S,4R)-1-[(2R)-2-[3-[4-[[4-[3-[[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-N-[(1S)-1-(4-cyano-3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CAS: 2410314-57-5
CID: 146340227
Formula: C58H71FN12O7
MW: 1067.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1067.3
XLogP36.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count18
Rotatable Bond Count16
Exact Mass1066.55527081
Monoisotopic Mass1066.55527081
Topological Polar Surface Area236 Ų
Heavy Atom Count78
Formal Charge0
Complexity2030
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T201199-01PROTAC SMARCA2 degrader-27
T89900-01PROTAC SMARCA2/4-degrader-27
T208247-01PROTAC SMARCA2 degrader-1
T201019-01PROTAC SMARCA2 degrader-25
T200976-01PROTAC SMARCA2 degrader-24
T200853-01PROTAC SMARCA2 degrader-31
T200758-01PROTAC SMARCA2 degrader-14
T89261-01PROTAC SMARCA2 degrader-7
T81376-01PROTAC SMARCA2 degrader-2
GTR19239613-01PROTAC SMARCA2 degrader-23

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