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Pocenbrodib

CAT: 0931-T69691-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T69691-01Size:1 mg
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CAS Number
2304372-79-8
Target
Epigenetic Reader Domain, Histone Acetyltransferase
Related Pathways
Chromatin/Epigenetic
Purity
0.9954
Bioactivity
Pocenbrodib (FT-7051) is a potent inhibitor of the bromodomain of the CBP/p300 family with potential antitumour activity and is palatable for cancer research.
Smiles
[C@H](O)(C1=NC2=C(N1[C@H]3C[C@H](C(O)=O)CCC3)C=CC4=C2CC[C@H](C)N4C(OC)=O)C5=C(OC)C=CC(F)=C5
Molecular Formula
C28H32FN3O6
Molecular Weight
525.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pocenbrodib

Pocenbrodib is a small molecule drug. Pocenbrodib is under investigation in clinical trial NCT06785636 (Open-Label Study of Pocenbrodib Alone and in Combination With Abiraterone Acetate, Olaparib, or 177Lu-PSMA-617). Pocenbrodib has a monoisotopic molecular weight of 525.23 Da.

CAS Number2304372-79-8
PubChem CID138472434
IUPAC Nametrans-(1R,3R)-3-[(7S)-2-[(R)-(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid
Molecular FormulaC28H32FN3O6
Molecular Weight525.6
XLogP3.6
Topological Polar Surface Area114
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity864
SMILES
C[C@H]1CCC2=C(N1C(=O)OC)C=CC3=C2N=C(N3[C@@H]4CCC[C@H](C4)C(=O)O)[C@@H](C5=C(C=CC(=C5)F)OC)O
InChI
InChI=1S/C28H32FN3O6/c1-15-7-9-19-21(31(15)28(36)38-3)10-11-22-24(19)30-26(25(33)20-14-17(29)8-12-23(20)37-2)32(22)18-6-4-5-16(13-18)27(34)35/h8,10-12,14-16,18,25,33H,4-7,9,13H2,1-3H3,(H,34,35)/t15-,16+,18+,25+/m0/s1
InChIKey
NOUKMOKAEKAWKS-FSEQIFNCSA-N
Chemical Structure
2D Structure
2D structure of Pocenbrodib
CAS: 2304372-79-8
CID: 138472434
Formula: C28H32FN3O6
MW: 525.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.6
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass525.22751391
Monoisotopic Mass525.22751391
Topological Polar Surface Area114 Ų
Heavy Atom Count38
Formal Charge0
Complexity864
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP02231-01Pocenbrodib

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