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PROTAC SMARCA2/4 degrader-36

CAT: 0013-GTR19250386-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250386-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PROTACSMARCA2/4 degrader-36 (Compound 29) is a highly potent, dual SMARCA2 and SMARCA4 degrader with DC50 values of 0.22 nM and 0.85 nM, respectively. It demonstrates robust antiproliferative activity in cellular assays, making it a valuable chemical probe for oncology research targeting SWI/SNF chromatin remodeling complexes.
CAS Number
3033588-00-7
Field of Research
Epigenetics & Chromatin, Neuroscience, Pharmacology & Drug Discovery
Smiles
CC1 (C) C=2N (C=3C1=CC (=CC3) C4CCN (C[C@H]5CC[C@@H] (CC5) C6=CN ([C@H] (C (=O) N7[C@H] (C (N[C@@H] (C) C8=CC=C (C=C8) C9=C (C) N=CS9) =O) C[C@@H] (O) C7) C (C) C) N=N6) CC4) C=%10C (C (=O) N2) =C (Cl) C=CC%10
Molecular Formula
C53H62ClN9O4S
Molecular Weight
956.635
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PROTAC SMARCA2/4 degrader-36
CAS Number3033588-00-7
PubChem CID171105466
IUPAC Name(2S,4R)-1-[(2S)-2-[4-[4-[[4-(4-chloro-7,7-dimethyl-5-oxoindolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]methyl]cyclohexyl]triazol-1-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
Molecular FormulaC53H62ClN9O4S
Molecular Weight956.6
XLogP8.1
Topological Polar Surface Area177
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count68
Formal Charge0
Complexity1830
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)N4C=C(N=N4)C5CCC(CC5)CN6CCC(CC6)C7=CC8=C(C=C7)N9C1=C(C(=CC=C1)Cl)C(=O)N=C9C8(C)C)O
InChI
InChI=1S/C53H62ClN9O4S/c1-30(2)47(51(67)61-27-39(64)25-45(61)49(65)56-31(3)34-14-16-37(17-15-34)48-32(4)55-29-68-48)62-28-42(58-59-62)36-12-10-33(11-13-36)26-60-22-20-35(21-23-60)38-18-19-43-40(24-38)53(5,6)52-57-50(66)46-41(54)8-7-9-44(46)63(43)52/h7-9,14-19,24,28-31,33,35-36,39,45,47,64H,10-13,20-23,25-27H2,1-6H3,(H,56,65)/t31-,33?,36?,39+,45-,47-/m0/s1
InChIKey
NZDYTXGDQNACSC-HLMXDWBHSA-N
Chemical Structure
2D Structure
2D structure of PROTAC SMARCA2/4 degrader-36
CAS: 3033588-00-7
CID: 171105466
Formula: C53H62ClN9O4S
MW: 956.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight956.6
XLogP38.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass955.4334004
Monoisotopic Mass955.4334004
Topological Polar Surface Area177 Ų
Heavy Atom Count68
Formal Charge0
Complexity1830
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
HY-170347PROTAC SMARCA2/4 degrader-36
T89436-01PROTAC SMARCA2 degrader-4
HY-159455PROTAC SMARCA2/4-degrader-4
HY-159461PROTAC SMARCA2/4-degrader-9
HY-162744PROTAC SMARCA2/4-degrader-31
T200532-01PROTAC SMARCA2/4-degrader-2
T89900-01PROTAC SMARCA2/4-degrader-27
T89602-01PROTAC SMARCA2/4-degrader-10
T88983-01PROTAC SMARCA2/4-degrader-5
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