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Ep300/CREBBP-IN-4

CAT: 0013-GTR19222490-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222490-01Size:5 mg
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Description
Ep300/CREBBP-IN-4 (Example 56) is a potent dual inhibitor of EP300 and CREBBP with IC50 values of 24 nM and 64 nM, respectively. It is a valuable chemical probe for oncology research, used to investigate the roles of these acetyltransferases in cancer cell proliferation and tumorigenesis in both cellular and animal models.
CAS Number
2259641-42-2
Field of Research
Epigenetics & Chromatin, Signal Transduction
Smiles
COc1ccc (cc1) C1 (CC (F) (F) C1) C (=O) N1C[C@H] (F) C[C@@H]1C (=O) Nc1ccc2[nH]ncc2n1
Molecular Formula
C23H22F3N5O3
Molecular Weight
473.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ep300/CREBBP-IN-4
CAS Number2259641-42-2
PubChem CID142504195
IUPAC Name(2R,4R)-1-[3,3-difluoro-1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
Molecular FormulaC23H22F3N5O3
Molecular Weight473.4
XLogP2.8
Topological Polar Surface Area100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity786
SMILES
COC1=CC=C(C=C1)C2(CC(C2)(F)F)C(=O)N3C[C@@H](C[C@@H]3C(=O)NC4=NC5=C(C=C4)NN=C5)F
InChI
InChI=1S/C23H22F3N5O3/c1-34-15-4-2-13(3-5-15)22(11-23(25,26)12-22)21(33)31-10-14(24)8-18(31)20(32)29-19-7-6-16-17(28-19)9-27-30-16/h2-7,9,14,18H,8,10-12H2,1H3,(H,27,30)(H,28,29,32)/t14-,18-/m1/s1
InChIKey
TURGXTFEXLEVEN-RDTXWAMCSA-N
Chemical Structure
2D Structure
2D structure of Ep300/CREBBP-IN-4
CAS: 2259641-42-2
CID: 142504195
Formula: C23H22F3N5O3
MW: 473.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.4
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass473.16747407
Monoisotopic Mass473.16747407
Topological Polar Surface Area100 Ų
Heavy Atom Count34
Formal Charge0
Complexity786
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS5815966Ep300/CREBBP-IN-4
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522680-01EP300
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