Products for Research Use Only
RegisterLogin

PROTAC SMARCA2/4-degrader-18

CAT: 0931-T89590-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T89590-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2568276-91-3
Bioactivity
PROTAC SMARCA2/4-degrader-18 (Compound I-348) is a PROTAC degrader targeting the catalytic subunits SMARCA2 and SMARCA4 of the SWI/SNF complex. It effectively degrades SMARCA2 in A549 cells with a DC50 value of less than 100 nM and similarly degrades SMARCA4 in MV411 cells, also with a DC50 of less than 100 nM.
Smiles
NC1=C(N2CC3N(C(C2)CC3)C=4N=CC(=CN4)C5CCN(CC6=CC=C(C(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)C=C6)CC5)C=C(N=N1)C%10=C(O)C=CC=C%10
Molecular Formula
C55H64N12O5S
Molecular Weight
1005.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PROTAC SMARCA2/4-degrader-18
CAS Number2568276-91-3
PubChem CID167386852
IUPAC Name(2S,4R)-1-[(2S)-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]piperidin-1-yl]methyl]benzoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular FormulaC55H64N12O5S
Molecular Weight1005.2
XLogP5.9
Topological Polar Surface Area247
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
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)C4=CC=C(C=C4)CN5CCC(CC5)C6=CN=C(N=C6)N7C8CCC7CN(C8)C9=CC(=NN=C9N)C1=CC=CC=C1O)O
InChI
InChI=1S/C55H64N12O5S/c1-33-48(73-32-60-33)37-13-9-34(10-14-37)25-57-52(71)46-23-42(68)31-66(46)53(72)49(55(2,3)4)61-51(70)38-15-11-35(12-16-38)28-64-21-19-36(20-22-64)39-26-58-54(59-27-39)67-40-17-18-41(67)30-65(29-40)45-24-44(62-63-50(45)56)43-7-5-6-8-47(43)69/h5-16,24,26-27,32,36,40-42,46,49,68-69H,17-23,25,28-31H2,1-4H3,(H2,56,63)(H,57,71)(H,61,70)/t40?,41?,42-,46+,49-/m1/s1
InChIKey
KJFUXRATVDHAPS-QRDMRLQQSA-N
Chemical Structure
2D Structure
2D structure of PROTAC SMARCA2/4-degrader-18
CAS: 2568276-91-3
CID: 167386852
Formula: C55H64N12O5S
MW: 1005.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1005.2
XLogP35.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count14
Exact Mass1004.48433436
Monoisotopic Mass1004.48433436
Topological Polar Surface Area247 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

Related Products

CatalogName
T200917-01PROTAC SMARCA2 degrader-18
T89436-01PROTAC SMARCA2 degrader-4
T88895-01PROTAC SMARCA2/4-degrader-4
T200532-01PROTAC SMARCA2/4-degrader-2
T89900-01PROTAC SMARCA2/4-degrader-27
T89602-01PROTAC SMARCA2/4-degrader-10
T89170-01PROTAC SMARCA2/4-degrader-9
T88983-01PROTAC SMARCA2/4-degrader-5
T88872-01PROTAC SMARCA2/4-degrader-8
T201295-01PROTAC SMARCA2/4-degrader-35

Alternative Products

CatalogName
HY-163871PROTAC SMARCA2/4-degrader-18
GTR19239882-01PROTAC SMARCA2 degrader-18
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

Popular Products