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BRD4 ligand 6 (TFA)

CAT: 0804-HY-161651A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-161651A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BRD4 ligand 6 TFA is the TFA salt form of BRD4 ligand 6. BRD4 ligand 6 TFA is a BRD4 ligand and can be used for synthesis of BRD4 PROTACs, such as PROTAC BRD4 Degrader-26 (HY-161650).
CAS Number
2763548-61-2
UNSPSC
12352005
Target
Epigenetic Reader Domain
Type
Reference compound
Related Pathways
Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/brd4-ligand-6-tfa.html
Purity
99.79
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
NCCCNC(C[C@H]1C2=NN=C(C)N2C(SC(C)=C3C)=C3C(C4=CC=C(Cl)C=C4)=N1)=O.OC(C(F)(F)F)=O
Molecular Formula
C24H26ClF3N6O3S
Molecular Weight
571.01
References & Citations
[1]Xu H, et al. Photo-regulated PROTACs: A novel tool for temporal control of targeted protein degradation. Bioorg Med Chem Lett. 2024 Jul 15;107:129778.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

BRD4 ligand 6 TFA
CAS Number2763548-61-2
PubChem CID172419448
IUPAC NameN-(3-aminopropyl)-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]acetamide;2,2,2-trifluoroacetic acid
Molecular FormulaC24H26ClF3N6O3S
Molecular Weight571.0
Topological Polar Surface Area164
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity756
SMILES
CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCCN)C4=CC=C(C=C4)Cl)C.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C22H25ClN6OS.C2HF3O2/c1-12-13(2)31-22-19(12)20(15-5-7-16(23)8-6-15)26-17(11-18(30)25-10-4-9-24)21-28-27-14(3)29(21)22;3-2(4,5)1(6)7/h5-8,17H,4,9-11,24H2,1-3H3,(H,25,30);(H,6,7)/t17-;/m0./s1
InChIKey
CNHYPIZYMOJZTH-LMOVPXPDSA-N
Chemical Structure
2D Structure
2D structure of BRD4 ligand 6 TFA
CAS: 2763548-61-2
CID: 172419448
Formula: C24H26ClF3N6O3S
MW: 571.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight571.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass570.1427721
Monoisotopic Mass570.1427721
Topological Polar Surface Area164 Ų
Heavy Atom Count38
Formal Charge0
Complexity756
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-161651BRD4 ligand 6
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HY-175242PROTAC BRD4 ligand-4
HY-162876PROTAC BRD4 ligand-3
HY-129939-01PROTAC BRD4 ligand-1
HY-132942PROTAC BRD4 ligand-2
HY-175611FLT3/JAK2/BRD4 ligand-1
HY-132943BRD4 ligand-Linker Conjugate 1

Alternative Products

CatalogName
T89433-01BRD4 ligand 6 TFA
T206812-01BRD4 ligand 7
T212144-01BRD4 ligand 8
GTR19262498-01BRD4 ligand 6
GTR19276114-01BRD4 ligand 14
T89841-01PROTAC BRD4 ligand-3
T12551-01PROTAC BRD4 ligand-1
T39628-01PROTAC BRD4 ligand-2
T211666-01PROTAC BRD4 ligand-4
T77921-01PROTAC BRD4 ligand-2 hydrochloride

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