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CBP/p300-IN-5

CAT: 0804-HY-100132Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-100132Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
P300/CBP-IN-5 is a potent p300/CBP histone acetyltransferase inhibitor extracted from patent WO2016044770A1, Example 715, has an IC50 of 18.8 nM[1].
CAS Number
1889284-33-6
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/p300-cbp-in-5.html
Purity
97.0
Solubility
DMSO : 60 mg/mL (ultrasonic; warming)
Smiles
O=C(CN(C1=O)C(N[C@@]21C[C@H](C3=C2C=CC(C4=CN(N=C4)CC(NC)=O)=C3)F)=O)N([C@H](C(F)(F)F)C)CC5=CC=C(C=C5)F
Molecular Formula
C29H27F5N6O4
Molecular Weight
618.55
References & Citations
[1]Michael Michaelides, et al. Spirocyclic hat inhibitors and methods for their use. WO2016044770A1.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CBP/p300

Chemical Information

CBP/p300-IN-5
CAS Number1889284-33-6
PubChem CID118956836
IUPAC Name2-[4-[(1S,3R)-3-fluoro-1'-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]-N-methylacetamide
Molecular FormulaC29H27F5N6O4
Molecular Weight618.6
XLogP3
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count44
Formal Charge0
Complexity1120
SMILES
C[C@@H](C(F)(F)F)N(CC1=CC=C(C=C1)F)C(=O)CN2C(=O)[C@@]3(C[C@H](C4=C3C=CC(=C4)C5=CN(N=C5)CC(=O)NC)F)NC2=O
InChI
InChI=1S/C29H27F5N6O4/c1-16(29(32,33)34)39(12-17-3-6-20(30)7-4-17)25(42)15-40-26(43)28(37-27(40)44)10-23(31)21-9-18(5-8-22(21)28)19-11-36-38(13-19)14-24(41)35-2/h3-9,11,13,16,23H,10,12,14-15H2,1-2H3,(H,35,41)(H,37,44)/t16-,23+,28-/m0/s1
InChIKey
SWXCHCQCWFXILM-DAXQEMQKSA-N
Chemical Structure
2D Structure
2D structure of CBP/p300-IN-5
CAS: 1889284-33-6
CID: 118956836
Formula: C29H27F5N6O4
MW: 618.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight618.6
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass618.20139417
Monoisotopic Mass618.20139417
Topological Polar Surface Area117 Ų
Heavy Atom Count44
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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