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Ep300/CREBBP-IN-2

CAT: 0013-GTR19222512-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222512-01Size:5 mg
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Description
Ep300/CREBBP-IN-2 (Example 73) is a potent, orally bioavailable dual inhibitor of Ep300 and CREBBP with IC50 values of 0.052 μM and 0.148 μM, respectively. It is widely used in cancer research to investigate the roles of these acetyltransferases in tumorigenesis, both in cellular and animal models.
CAS Number
2259641-59-1
Field of Research
Epigenetics & Chromatin, Signal Transduction
Smiles
COc1ccc (cc1) C1 (CCC (F) (F) CC1) C (=O) N1C[C@H] (F) C[C@@H]1C (=O) Nc1ccc2NC (=O) Cc2n1
Molecular Formula
C26H27F3N4O4
Molecular Weight
516.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ep300/CREBBP-IN-2
CAS Number2259641-59-1
PubChem CID142504221
IUPAC Name(2R,4R)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoro-N-(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)pyrrolidine-2-carboxamide
Molecular FormulaC26H27F3N4O4
Molecular Weight516.5
XLogP2.6
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count37
Formal Charge0
Complexity887
SMILES
COC1=CC=C(C=C1)C2(CCC(CC2)(F)F)C(=O)N3C[C@@H](C[C@@H]3C(=O)NC4=NC5=C(C=C4)NC(=O)C5)F
InChI
InChI=1S/C26H27F3N4O4/c1-37-17-4-2-15(3-5-17)25(8-10-26(28,29)11-9-25)24(36)33-14-16(27)12-20(33)23(35)32-21-7-6-18-19(30-21)13-22(34)31-18/h2-7,16,20H,8-14H2,1H3,(H,31,34)(H,30,32,35)/t16-,20-/m1/s1
InChIKey
CVCCDDXWAXREGK-OXQOHEQNSA-N
Chemical Structure
2D Structure
2D structure of Ep300/CREBBP-IN-2
CAS: 2259641-59-1
CID: 142504221
Formula: C26H27F3N4O4
MW: 516.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight516.5
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass516.19843984
Monoisotopic Mass516.19843984
Topological Polar Surface Area101 Ų
Heavy Atom Count37
Formal Charge0
Complexity887
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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Alternative Products

CatalogName
T73921-01Ep300/CREBBP-IN-2
HY-128364Ep300/CREBBP-IN-3
A49204-100ULEP300/CREBBP Antibody
MBS5815966Ep300/CREBBP-IN-4
HY-128362Ep300/CREBBP-IN-8
abx332453EP300 / CREBBP Antibody
034980EID2, CT (EID2, CRI2, EP300-interacting inhibitor of differentiation 2, CREBBP/EP300 inhibitor 2, EID-1-like inhibitor of differentiation 2)
MBS6294798-01EID2, CT (EID2, CRI2, EP300-interacting inhibitor of differentiation 2, CREBBP/EP300 inhibitor 2, EID-1-like inhibitor of differentiation 2) (APC)
MBS6294797-01EID2, CT (EID2, CRI2, EP300-interacting inhibitor of differentiation 2, CREBBP/EP300 inhibitor 2, EID-1-like inhibitor of differentiation 2) (AP)
MBS6294807-01EID2, CT (EID2, CRI2, EP300-interacting inhibitor of differentiation 2, CREBBP/EP300 inhibitor 2, EID-1-like inhibitor of differentiation 2) (PE)

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