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PROTAC SMARCA2 degrader-19

CAT: 0931-T200876-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T200876-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2567913-00-0
Target
Epigenetic Reader Domain, PROTACs
Related Pathways
PROTAC, Chromatin/Epigenetic
Bioactivity
PROTAC SMARCA2 degrader-19 (Compound 46) acts as a degrader of SMARCA2, demonstrating degradation capabilities in A549 and MV411 cells with a DC50 of less than 100 nM. Additionally, this compound degrades SMARCA4 in MV411 cells, but with a significantly higher DC50 of over 1000 nM.
Smiles
OC1=C(C=2C=C3C(=CNC3=NN2)C4CCN(CC4)C=5N=CC(=CN5)[C@@H]6CC[C@@H](C(N[C@H](C(=O)N7[C@H](C(NCC8=CC=C(C=C8)C=9SC=NC9C)=O)C[C@@H](O)C7)[C@](C)(C)C)=O)CC6)C=CC=C1
Molecular Formula
C50H58N10O5S
Molecular Weight
911.13
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PROTAC SMARCA2 degrader-19
CAS Number2567913-00-0
PubChem CID155391854
IUPAC Name(2S,4R)-4-hydroxy-1-[(2S)-2-[[4-[2-[4-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-5-yl]piperidin-1-yl]pyrimidin-5-yl]cyclohexanecarbonyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular FormulaC50H58N10O5S
Molecular Weight911.1
XLogP6.3
Topological Polar Surface Area231
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count12
Heavy Atom Count66
Formal Charge0
Complexity1630
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)C4CCC(CC4)C5=CN=C(N=C5)N6CCC(CC6)C7=CNC8=NN=C(C=C78)C9=CC=CC=C9O)O
InChI
InChI=1S/C50H58N10O5S/c1-29-43(66-28-55-29)33-11-9-30(10-12-33)23-52-47(64)41-21-36(61)27-60(41)48(65)44(50(2,3)4)56-46(63)34-15-13-31(14-16-34)35-24-53-49(54-25-35)59-19-17-32(18-20-59)39-26-51-45-38(39)22-40(57-58-45)37-7-5-6-8-42(37)62/h5-12,22,24-26,28,31-32,34,36,41,44,61-62H,13-21,23,27H2,1-4H3,(H,51,58)(H,52,64)(H,56,63)/t31?,34?,36-,41+,44-/m1/s1
InChIKey
BAKUZDKBDMOUSJ-URWJYQCXSA-N
Chemical Structure
2D Structure
2D structure of PROTAC SMARCA2 degrader-19
CAS: 2567913-00-0
CID: 155391854
Formula: C50H58N10O5S
MW: 911.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight911.1
XLogP36.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count12
Exact Mass910.43123616
Monoisotopic Mass910.43123616
Topological Polar Surface Area231 Ų
Heavy Atom Count66
Formal Charge0
Complexity1630
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
HY-169270PROTAC SMARCA2 degrader-19
GTR19238253-01PROTAC SMARCA2/4-degrader-19
HY-168229PROTAC SMARCA2 degrader-27
HY-169276PROTAC SMARCA2 degrader-25
HY-169274PROTAC SMARCA2 degrader-23
HY-163867PROTAC SMARCA2 degrader-15
HY-162742PROTAC SMARCA2 degrader-16
GTR19238850-01PROTAC SMARCA2 degrader-17
GTR19237905-01PROTAC SMARCA2 degrader-4
GTR19218642-01PROTAC SMARCA2 degrader-2

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