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PROTAC SMARCA2 degrader-7

CAT: 0804-HY-159451Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-159451Size:1 Each
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Description
PROTAC SMARCA2 degrader-7 (Compound I-428) is a PROTAC degrader for SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A (SMARCA) SMARCA2. PROTAC SMARCA2 degrader-7 degrades SMARCA2 and SMARCA4 in MV411 with DC50 of [1]
CAS Number
2568277-71-2
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-7.html
Smiles
O=C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)[C@H](C(C)(C)C)NC(C(CC4)(CC5)CCC45CN6CCC(N7C=C(C8=C(N)N=NC(C9=C(C=CC=C9)O)=C8)C=N7)CC6)=O
Molecular Formula
C50H62N10O5S
Molecular Weight
915.16
References & Citations
[1]Ji N, et al., Smarca degraders and uses thereof. US20230072658A1
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

PROTAC SMARCA2 degrader-7
CAS Number2568277-71-2
PubChem CID155404761
IUPAC Name(2S,4R)-1-[(2S)-2-[[4-[[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]piperidin-1-yl]methyl]bicyclo[2.2.2]octane-1-carbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular FormulaC50H62N10O5S
Molecular Weight915.2
XLogP4.9
Topological Polar Surface Area233
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count13
Heavy Atom Count66
Formal Charge0
Complexity1660
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C45CCC(CC4)(CC5)CN6CCC(CC6)N7C=C(C=N7)C8=CC(=NN=C8N)C9=CC=CC=C9O)O
InChI
InChI=1S/C50H62N10O5S/c1-31-42(66-30-53-31)33-11-9-32(10-12-33)25-52-45(63)40-23-36(61)28-59(40)46(64)43(48(2,3)4)55-47(65)50-18-15-49(16-19-50,17-20-50)29-58-21-13-35(14-22-58)60-27-34(26-54-60)38-24-39(56-57-44(38)51)37-7-5-6-8-41(37)62/h5-12,24,26-27,30,35-36,40,43,61-62H,13-23,25,28-29H2,1-4H3,(H2,51,57)(H,52,63)(H,55,65)/t36-,40+,43-,49?,50?/m1/s1
InChIKey
FCYTWDUIJCGKLZ-CDTXNYNPSA-N
Chemical Structure
2D Structure
2D structure of PROTAC SMARCA2 degrader-7
CAS: 2568277-71-2
CID: 155404761
Formula: C50H62N10O5S
MW: 915.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight915.2
XLogP34.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count13
Exact Mass914.46253629
Monoisotopic Mass914.46253629
Topological Polar Surface Area233 Ų
Heavy Atom Count66
Formal Charge0
Complexity1660
Isotope Atom Count0
Defined Atom Stereocenter Count3
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
T89261-01PROTAC SMARCA2 degrader-7
GTR19238822-01PROTAC SMARCA2/4-degrader-7
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
T81376-01PROTAC SMARCA2 degrader-2
GTR19239613-01PROTAC SMARCA2 degrader-23
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