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PROTAC SMARCA2/4-degrader-23

CAT: 0931-T200683-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T200683-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2568277-50-7
Target
PROTACs
Related Pathways
PROTAC
Bioactivity
SMARCA2 degrader-15 (compound I-409) is a PROTAC degrader targeting SMARCA2 and SMARCA4. In A549 cells, it achieves DC50s for SMARCA2/4 degradation of less than 100 nM, with 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=CC=C(C=C7)C8=C(C)N=CS8)=O)C[C@@H](OC([C@H](C)N)=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-23
CAS Number2568277-50-7
PubChem CID155404873
IUPAC Name[(3R,5S)-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]-5-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-3-yl] (2S)-2-aminopropanoate
Molecular FormulaC52H64N12O6S
Molecular Weight985.2
XLogP5.5
Topological Polar Surface Area276
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count16
Rotatable Bond Count15
Heavy Atom Count71
Formal Charge0
Complexity1810
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)OC(=O)[C@H](C)N
InChI
InChI=1S/C52H64N12O6S/c1-29(53)50(69)70-38-20-42(48(67)55-22-31-10-12-33(13-11-31)44-30(2)58-28-71-44)63(27-38)49(68)45(52(3,4)5)59-47(66)34-16-14-32(15-17-34)35-23-56-51(57-24-35)64-36-18-19-37(64)26-62(25-36)41-21-40(60-61-46(41)54)39-8-6-7-9-43(39)65/h6-13,21,23-24,28-29,32,34,36-38,42,45,65H,14-20,22,25-27,53H2,1-5H3,(H2,54,61)(H,55,67)(H,59,66)/t29-,32?,34?,36?,37?,38+,42-,45+/m0/s1
InChIKey
NHQUGDMASUHWOV-LGFMSQDOSA-N
Chemical Structure
2D Structure
2D structure of PROTAC SMARCA2/4-degrader-23
CAS: 2568277-50-7
CID: 155404873
Formula: C52H64N12O6S
MW: 985.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight985.2
XLogP35.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count16
Rotatable Bond Count15
Exact Mass984.47924898
Monoisotopic Mass984.47924898
Topological Polar Surface Area276 Ų
Heavy Atom Count71
Formal Charge0
Complexity1810
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

CatalogName
HY-163876PROTAC SMARCA2/4-degrader-23
HY-169274PROTAC SMARCA2 degrader-23
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
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