Products for Research Use Only
RegisterLogin

PROTAC SMARCA2/4-degrader-2

CAT: 0931-T200532-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T200532-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2568277-76-7
Target
PROTACs
Related Pathways
PROTAC
Bioactivity
Compound I-431, also known as SMARCA2/4-degrader-2, is a PROTAC degrader targeting SMARCA2 and SMARCA4. In A549 cells, it degrades SMARCA2/4 proteins with DC50s values of less than 100 nM and achieves a maximum degradation rate (Dmax%) exceeding 90% after a 24-hour treatment.
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(NCC7=C(C(N(C)C)=O)C=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
C52H64N12O6S
Molecular Weight
985.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PROTAC SMARCA2/4-degrader-2
CAS Number2568277-76-7
PubChem CID167386933
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]-N-[[2-(dimethylcarbamoyl)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
Molecular FormulaC52H64N12O6S
Molecular Weight985.2
XLogP4.9
Topological Polar Surface Area264
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count13
Heavy Atom Count71
Formal Charge0
Complexity1830
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)N6C7CCC6CN(C7)C8=CC(=NN=C8N)C9=CC=CC=C9O)O)C(=O)N(C)C
InChI
InChI=1S/C52H64N12O6S/c1-29-44(71-28-57-29)32-15-16-33(39(19-32)49(69)61(5)6)22-54-48(68)42-20-37(65)27-63(42)50(70)45(52(2,3)4)58-47(67)31-13-11-30(12-14-31)34-23-55-51(56-24-34)64-35-17-18-36(64)26-62(25-35)41-21-40(59-60-46(41)53)38-9-7-8-10-43(38)66/h7-10,15-16,19,21,23-24,28,30-31,35-37,42,45,65-66H,11-14,17-18,20,22,25-27H2,1-6H3,(H2,53,60)(H,54,68)(H,58,67)/t30?,31?,35?,36?,37-,42+,45-/m1/s1
InChIKey
PLXHPTSUVOXDCO-MZBGCCNJSA-N
Chemical Structure
2D Structure
2D structure of PROTAC SMARCA2/4-degrader-2
CAS: 2568277-76-7
CID: 167386933
Formula: C52H64N12O6S
MW: 985.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight985.2
XLogP34.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count13
Exact Mass984.47924898
Monoisotopic Mass984.47924898
Topological Polar Surface Area264 Ų
Heavy Atom Count71
Formal Charge0
Complexity1830
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
T89436-01PROTAC SMARCA2 degrader-4
T81376-01PROTAC SMARCA2 degrader-2
T88895-01PROTAC SMARCA2/4-degrader-4
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
T200697-01PROTAC SMARCA2/4-degrader-1

Alternative Products

CatalogName
HY-159453PROTAC SMARCA2/4-degrader-2
GTR19237905-01PROTAC SMARCA2 degrader-4
GTR19218642-01PROTAC SMARCA2 degrader-2
HY-159455PROTAC SMARCA2/4-degrader-4
HY-159461PROTAC SMARCA2/4-degrader-9
HY-162744PROTAC SMARCA2/4-degrader-31
GTR19250386-01PROTAC SMARCA2/4 degrader-36
GTR19239935-01PROTAC SMARCA2/4-degrader-35
GTR19239259-01PROTAC SMARCA2/4-degrader-25
GTR19239176-01PROTAC SMARCA2/4-degrader-28

Popular Products