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PROTAC SMARCA2/4-degrader-6

CAT: 0013-GTR19238115-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238115-01Size:50 mg
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Description
PROTACSMARCA2/4-degrader-6 (I-438) is a heterobifunctional degrader that selectively targets SMARCA2 and SMARCA4 proteins for proteasomal degradation. It serves as a valuable chemical probe for investigating SWI/SNF chromatin remodeling complex function in oncology research, with utility demonstrated in both cellular and in vivo models.
CAS Number
2568277-87-0
Field of Research
Neuroscience
Smiles
NC1=C (N2CC3N (C (C2) CC3) C=4N=CC (=CN4) [C@@H]5CC[C@@H] (C (N[C@H] (C (=O) N6[C@H] (C (N[C@@H] (C) C7=CC=C (C=C7) C8=C (C) N=CS8) =O) C[C@@H] (O) C6) C (C) (C) C) =O) CC5) C=C (N=N1) C9=C (O) C=CC=C9
Molecular Formula
C50H61N11O5S
Molecular Weight
928.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PROTAC SMARCA2/4-degrader-6
CAS Number2568277-87-0
PubChem CID155405143
IUPAC Name(2S,4R)-1-[(2S)-2-[[4-[2-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyrimidin-5-yl]cyclohexanecarbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
Molecular FormulaC50H61N11O5S
Molecular Weight928.2
XLogP5.8
Topological Polar Surface Area244
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count12
Heavy Atom Count67
Formal Charge0
Complexity1670
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)C4CCC(CC4)C5=CN=C(N=C5)N6C7CCC6CN(C7)C8=CC(=NN=C8N)C9=CC=CC=C9O)O
InChI
InChI=1S/C50H61N11O5S/c1-28(30-10-14-32(15-11-30)43-29(2)54-27-67-43)55-47(65)41-20-37(62)26-60(41)48(66)44(50(3,4)5)56-46(64)33-16-12-31(13-17-33)34-22-52-49(53-23-34)61-35-18-19-36(61)25-59(24-35)40-21-39(57-58-45(40)51)38-8-6-7-9-42(38)63/h6-11,14-15,21-23,27-28,31,33,35-37,41,44,62-63H,12-13,16-20,24-26H2,1-5H3,(H2,51,58)(H,55,65)(H,56,64)/t28-,31?,33?,35?,36?,37+,41-,44+/m0/s1
InChIKey
LYDVTQSPZVEIPV-MMAXHFTPSA-N
Chemical Structure
2D Structure
2D structure of PROTAC SMARCA2/4-degrader-6
CAS: 2568277-87-0
CID: 155405143
Formula: C50H61N11O5S
MW: 928.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight928.2
XLogP35.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count12
Exact Mass927.45778526
Monoisotopic Mass927.45778526
Topological Polar Surface Area244 Ų
Heavy Atom Count67
Formal Charge0
Complexity1670
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

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T89231-01PROTAC SMARCA2/4-degrader-6
HY-159450PROTAC SMARCA2 degrader-6
T89436-01PROTAC SMARCA2 degrader-4
T88895-01PROTAC 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
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