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PROTAC BRD4 Degrader-26

CAT: 0931-T210088-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T210088-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3050769-37-1
Target
PROTACs, Epigenetic Reader Domain
Related Pathways
Chromatin/Epigenetic, PROTAC
Bioactivity
PROTACBRD4 Degrader-26 (PROTAC-2) is a photo-regulated PROTAC designed to degrade BRD4, achieving 80% degradation efficiency at a concentration of 1 μM. This compound can be inactivated by ultraviolet light.
Smiles
CC1=C(C)SC2=C1C(C3=CC=C(C=C3)Cl)=N[C@@H](CC(NCCCNC(OCC4=C(C=CC(OCCCNC5=C6C(C(N(C7C(NC(CC7)=O)=O)C6=O)=O)=CC=C5)=C4)[N+]([O-])=O)=O)=O)C8=NN=C(C)N28
Molecular Formula
C46H45ClN10O10S
Molecular Weight
965.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PROTAC BRD4 Degrader-26
CAS Number3050769-37-1
PubChem CID171714021
IUPAC Name[5-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-2-nitrophenyl]methyl N-[3-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]propyl]carbamate
Molecular FormulaC46H45ClN10O10S
Molecular Weight965.4
XLogP5.5
Topological Polar Surface Area289
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count17
Heavy Atom Count68
Formal Charge0
Complexity1920
SMILES
CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCCNC(=O)OCC4=C(C=CC(=C4)OCCCNC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O)[N+](=O)[O-])C8=CC=C(C=C8)Cl)C
InChI
InChI=1S/C46H45ClN10O10S/c1-24-25(2)68-45-38(24)40(27-9-11-29(47)12-10-27)51-33(41-54-53-26(3)55(41)45)22-37(59)49-17-5-18-50-46(63)67-23-28-21-30(13-14-34(28)57(64)65)66-20-6-19-48-32-8-4-7-31-39(32)44(62)56(43(31)61)35-15-16-36(58)52-42(35)60/h4,7-14,21,33,35,48H,5-6,15-20,22-23H2,1-3H3,(H,49,59)(H,50,63)(H,52,58,60)/t33-,35?/m0/s1
InChIKey
HDUCLFRFYXGFGE-ITLBEBSESA-N
Chemical Structure
2D Structure
2D structure of PROTAC BRD4 Degrader-26
CAS: 3050769-37-1
CID: 171714021
Formula: C46H45ClN10O10S
MW: 965.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight965.4
XLogP35.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count17
Exact Mass964.2729365
Monoisotopic Mass964.2729365
Topological Polar Surface Area289 Ų
Heavy Atom Count68
Formal Charge0
Complexity1920
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19262632-01PROTAC BRD4 Degrader-26
HY-175240PROTAC BRD4 Degrader-38
HY-174811PROTAC BRD4 Degrader-33
HY-162875PROTAC BRD4 Degrader-27
HY-135558PROTAC BRD4 Degrader-3
HY-143327PROTAC BRD4 Degrader-16
HY-138636PROTAC BRD4 Degrader-13
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HY-138637PROTAC BRD4 Degrader-14
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