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PROTAC SMARCA2/4-degrader-32

CAT: 0013-GTR19238897-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238897-01Size:10 mg
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Description
PROTAC SMARCA2/4-degrader-32 (I-446) is a potent, cell-permeable degrader of SMARCA2 and SMARCA4 proteins, demonstrating DC50 values below 100 nM and achieving over 90% degradation (Dmax) in A549 cells within 24 hours. This tool compound is valuable for in vitro studies exploring SWI/SNF complex function in oncology and targeted protein degradation research.
CAS Number
2568273-79-8
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
NC1=C (N2CC3N (C (C2) CC3) C=4N=CC (=CN4) [C@@H]5CC[C@H] (CC5) N6CCN (CC (N[C@H] (C (=O) N7[C@H] (C (NCC8=CC=C (C=C8) C9=C (C) N=CS9) =O) C[C@@H] (O) C7) C (C) (C) C) =O) CC6) C=C (N=N1) C%10=C (O) C=CC=C%10
Molecular Formula
C54H69N13O5S
Molecular Weight
1012.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PROTAC SMARCA2/4-degrader-32
CAS Number2568273-79-8
PubChem CID155390858
IUPAC Name(2S,4R)-1-[(2S)-2-[[2-[4-[4-[2-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyrimidin-5-yl]cyclohexyl]piperazin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular FormulaC54H69N13O5S
Molecular Weight1012.3
XLogP5
Topological Polar Surface Area251
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count16
Rotatable Bond Count14
Heavy Atom Count73
Formal Charge0
Complexity1820
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)CN4CCN(CC4)C5CCC(CC5)C6=CN=C(N=C6)N7C8CCC7CN(C8)C9=CC(=NN=C9N)C1=CC=CC=C1O)O
InChI
InChI=1S/C54H69N13O5S/c1-33-48(73-32-59-33)36-11-9-34(10-12-36)25-56-51(71)45-23-41(68)30-66(45)52(72)49(54(2,3)4)60-47(70)31-63-19-21-64(22-20-63)38-15-13-35(14-16-38)37-26-57-53(58-27-37)67-39-17-18-40(67)29-65(28-39)44-24-43(61-62-50(44)55)42-7-5-6-8-46(42)69/h5-12,24,26-27,32,35,38-41,45,49,68-69H,13-23,25,28-31H2,1-4H3,(H2,55,62)(H,56,71)(H,60,70)/t35?,38?,39?,40?,41-,45+,49-/m1/s1
InChIKey
ZDOGDFQBBJWRMT-CWHYCRTLSA-N
Chemical Structure
2D Structure
2D structure of PROTAC SMARCA2/4-degrader-32
CAS: 2568273-79-8
CID: 155390858
Formula: C54H69N13O5S
MW: 1012.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1012.3
XLogP35
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count16
Rotatable Bond Count14
Exact Mass1011.52653353
Monoisotopic Mass1011.52653353
Topological Polar Surface Area251 Ų
Heavy Atom Count73
Formal Charge0
Complexity1820
Isotope Atom Count0
Defined Atom Stereocenter Count3
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
HY-159459PROTAC SMARCA2/4-degrader-32
HY-170343PROTAC SMARCA2 degrader-32
T89436-01PROTAC SMARCA2 degrader-4
HY-159455PROTAC SMARCA2/4-degrader-4
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HY-162744PROTAC SMARCA2/4-degrader-31
T200532-01PROTAC SMARCA2/4-degrader-2
T89900-01PROTAC SMARCA2/4-degrader-27
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