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CBP/p300-IN-19

CAT: 0804-HY-146277Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-146277Size:1 Each
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Description
CBP/p300-IN-19 is a potent p300/CBP HAT inhibitor with IC50s of 1.4, 2.2, >100, >100 μM for p300-HAT, CBP-HAT, PCAF, Myst3, respectively. CBP/p300-IN-19 shows antitumor activity[1].
CAS Number
2592638-13-4
UNSPSC
12352005
Target
Histone Acetyltransferase
Type
Reference compound
Related Pathways
Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/cbp-p300-in-19.html
Solubility
10 mM in DMSO
Smiles
C1(C2=CC=C(C3=COC=C3)C=C2)=NC=C(OCC4CCNCC4)N=C1C5=CC=C(C6=COC=C6)C=C5
Molecular Formula
C30H27N3O3
Molecular Weight
477.55
References & Citations
[1]Nie S, et al. Structure-activity relationship and antitumor activity of 1,4-pyrazine-containing inhibitors of histone acetyltransferases P300/CBP. Eur J Med Chem. 2022 Jul 5;237:114407.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CBP/p300; GCN5/PCAF

Chemical Information

CBP/p300-IN-19
CAS Number2592638-13-4
PubChem CID156475149
IUPAC Name2,3-bis[4-(furan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazine
Molecular FormulaC30H27N3O3
Molecular Weight477.6
XLogP5.1
Topological Polar Surface Area73.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity658
SMILES
C1CNCCC1COC2=CN=C(C(=N2)C3=CC=C(C=C3)C4=COC=C4)C5=CC=C(C=C5)C6=COC=C6
InChI
InChI=1S/C30H27N3O3/c1-5-24(6-2-22(1)26-11-15-34-19-26)29-30(25-7-3-23(4-8-25)27-12-16-35-20-27)33-28(17-32-29)36-18-21-9-13-31-14-10-21/h1-8,11-12,15-17,19-21,31H,9-10,13-14,18H2
InChIKey
QLCHGDXZIUOABP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CBP/p300-IN-19
CAS: 2592638-13-4
CID: 156475149
Formula: C30H27N3O3
MW: 477.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.6
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass477.20524173
Monoisotopic Mass477.20524173
Topological Polar Surface Area73.3 Ų
Heavy Atom Count36
Formal Charge0
Complexity658
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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