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HAT-IN-1

CAT: 0013-GTR19205667-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205667-02Size:50 mg
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Description
HAT-IN-1 is a histone acetyltransferase (HAT) inhibitor employed in cancer research. It is utilized in both in vitro and in vivo studies to investigate epigenetic mechanisms and evaluate potential therapeutic strategies in oncology.
CAS Number
1889281-94-0
Field of Research
Epigenetics & Chromatin
Smiles
O=C1C2 (C=3C (C (=O) C2) =CC (Br) =CC3) NC (=O) N1CC (N (CC4=CC=C (F) C=C4) [C@H] (C (F) (F) F) C) =O
Molecular Formula
C23H18BrF4N3O4
Molecular Weight
556.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Hat-IN-1
CAS Number1889281-94-0
PubChem CID118956800
IUPAC Name2-(5-bromo-2',3,5'-trioxospiro[2H-indene-1,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
Molecular FormulaC23H18BrF4N3O4
Molecular Weight556.3
XLogP3.5
Topological Polar Surface Area86.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity894
SMILES
C[C@@H](C(F)(F)F)N(CC1=CC=C(C=C1)F)C(=O)CN2C(=O)C3(CC(=O)C4=C3C=CC(=C4)Br)NC2=O
InChI
InChI=1S/C23H18BrF4N3O4/c1-12(23(26,27)28)30(10-13-2-5-15(25)6-3-13)19(33)11-31-20(34)22(29-21(31)35)9-18(32)16-8-14(24)4-7-17(16)22/h2-8,12H,9-11H2,1H3,(H,29,35)/t12-,22?/m0/s1
InChIKey
UCICQLJZEXBBBY-BJDAYTSDSA-N
Chemical Structure
2D Structure
2D structure of Hat-IN-1
CAS: 1889281-94-0
CID: 118956800
Formula: C23H18BrF4N3O4
MW: 556.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight556.3
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass555.04168
Monoisotopic Mass555.04168
Topological Polar Surface Area86.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity894
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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