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PROTAC SMARCA2/4-degrader-7

CAT: 0931-T200550-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T200550-01Size:10 mg
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CAS Number
2568277-89-2
Target
PROTACs
Related Pathways
PROTAC
Bioactivity
Compound I-439, also known as SMARCA2/4-degrader-7, is a PROTAC degrader targeting SMARCA2 and SMARCA4. In A549 cells, it degrades SMARCA2/4 proteins with DC50s values less than 100 nM and achieves a maximum degradation rate (Dmax%) exceeding 90% after a 24-hour treatment.
Smiles
N(C(=O)[C@H]1N(C([C@@H](NC(=O)[C@@H]2CC[C@H](CC2)C=3C=NC(=NC3)N4C5CN(CC4CC5)C=6C=C(N=NC6N)C7=C(O)C=CC=C7)C(C)(C)C)=O)C[C@H](O)C1)C8(CC8)C9=CC=C(C=C9)C%10=C(C)N=CS%10
Molecular Formula
C51H61N11O5S
Molecular Weight
940.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PROTAC SMARCA2/4-degrader-7
CAS Number2568277-89-2
PubChem CID155405142
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-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide
Molecular FormulaC51H61N11O5S
Molecular Weight940.2
XLogP5.8
Topological Polar Surface Area244
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count12
Heavy Atom Count68
Formal Charge0
Complexity1750
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)C3(CC3)NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@H](C(C)(C)C)NC(=O)C5CCC(CC5)C6=CN=C(N=C6)N7C8CCC7CN(C8)C9=CC(=NN=C9N)C1=CC=CC=C1O)O
InChI
InChI=1S/C51H61N11O5S/c1-29-43(68-28-55-29)31-13-15-34(16-14-31)51(19-20-51)57-47(66)41-21-37(63)27-61(41)48(67)44(50(2,3)4)56-46(65)32-11-9-30(10-12-32)33-23-53-49(54-24-33)62-35-17-18-36(62)26-60(25-35)40-22-39(58-59-45(40)52)38-7-5-6-8-42(38)64/h5-8,13-16,22-24,28,30,32,35-37,41,44,63-64H,9-12,17-21,25-27H2,1-4H3,(H2,52,59)(H,56,65)(H,57,66)/t30?,32?,35?,36?,37-,41+,44-/m1/s1
InChIKey
IIPHCIMKYYJIFI-AJWXKEMNSA-N
Chemical Structure
2D Structure
2D structure of PROTAC SMARCA2/4-degrader-7
CAS: 2568277-89-2
CID: 155405142
Formula: C51H61N11O5S
MW: 940.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight940.2
XLogP35.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count12
Exact Mass939.45778526
Monoisotopic Mass939.45778526
Topological Polar Surface Area244 Ų
Heavy Atom Count68
Formal Charge0
Complexity1750
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-159458PROTAC SMARCA2/4-degrader-7
GTR19238082-01PROTAC SMARCA2 degrader-7
GTR19237905-01PROTAC SMARCA2 degrader-4
HY-159455PROTAC SMARCA2/4-degrader-4
HY-159461PROTAC SMARCA2/4-degrader-9
HY-162744PROTAC SMARCA2/4-degrader-31
HY-159453PROTAC SMARCA2/4-degrader-2
GTR19250386-01PROTAC SMARCA2/4 degrader-36
GTR19239935-01PROTAC SMARCA2/4-degrader-35
GTR19239259-01PROTAC SMARCA2/4-degrader-25

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