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PROTAC SMARCA2 degrader-31

CAT: 0804-HY-168234Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-168234Size:1 Each
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Description
PROTAC SMARCA2-degrader-36 (compound 38) is a SMARCA2 degrader and can reach the the degradation rate of 99 % at the 100 nM in H929 cells. PROTAC SMARCA2-degrader-36 shows anti-proliferative activity and can be used for study of cancer (Structure Note: PINK SMARCA2 ligand HY-44012; Blue, VHL ligand ; Black, linker HY-W014125).
CAS Number
2380274-45-1
UNSPSC
12352005
Target
Epigenetic Reader Domain; PROTACs
Type
Reference compound
Related Pathways
Epigenetics; PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/protac-smarca2-degrader-31.html
Smiles
OC1=C(C2=CC(N3CCN(C(CCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)=O)=O)CC3)=C(N)N=N2)C=CC=C1
Molecular Formula
C48H65N9O6S
Molecular Weight
896.15
References & Citations
[1]Sanjita SASMAL, et al. Pyridazine derivatives as smarca2/4 degraders. WO2019207538 A1. 2024-03-19.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(2S,4R)-1-[(2S)-2-[[11-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-11-oxoundecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CAS Number2380274-45-1
PubChem CID156168691
IUPAC Name(2S,4R)-1-[(2S)-2-[[11-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-11-oxoundecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
Molecular FormulaC48H65N9O6S
Molecular Weight896.2
XLogP6
Topological Polar Surface Area235
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count19
Heavy Atom Count64
Formal Charge0
Complexity1510
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCC(=O)N4CCN(CC4)C5=CC(=NN=C5N)C6=CC=CC=C6O)O
InChI
InChI=1S/C48H65N9O6S/c1-31(33-19-21-34(22-20-33)43-32(2)50-30-64-43)51-46(62)39-27-35(58)29-57(39)47(63)44(48(3,4)5)52-41(60)17-11-9-7-6-8-10-12-18-42(61)56-25-23-55(24-26-56)38-28-37(53-54-45(38)49)36-15-13-14-16-40(36)59/h13-16,19-22,28,30-31,35,39,44,58-59H,6-12,17-18,23-27,29H2,1-5H3,(H2,49,54)(H,51,62)(H,52,60)/t31-,35+,39-,44+/m0/s1
InChIKey
CKXUCDLTQFHOEC-DJCWNUGWSA-N
Chemical Structure
2D Structure
2D structure of (2S,4R)-1-[(2S)-2-[[11-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-11-oxoundecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CAS: 2380274-45-1
CID: 156168691
Formula: C48H65N9O6S
MW: 896.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight896.2
XLogP36
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count19
Exact Mass895.47785200
Monoisotopic Mass895.47785200
Topological Polar Surface Area235 Ų
Heavy Atom Count64
Formal Charge0
Complexity1510
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T200853-01PROTAC SMARCA2 degrader-31
GTR19237532-01PROTAC SMARCA2/4-degrader-31
T208247-01PROTAC SMARCA2 degrader-1
T201019-01PROTAC SMARCA2 degrader-25
T200976-01PROTAC SMARCA2 degrader-24
T200758-01PROTAC SMARCA2 degrader-14
T89261-01PROTAC SMARCA2 degrader-7
T81376-01PROTAC SMARCA2 degrader-2
GTR19239613-01PROTAC SMARCA2 degrader-23
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