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UNC3866

CAT: 0013-GTR19163397-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19163397-03Size:1 g
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Description
A potent, selective PRC1 chromodomains antagonist that binds to CBX4 and CBX7 with Kd of 100 nM; displays 6- to 18-fold selectivity versus other CBX (CBX2/6/8) and CDY chromodomains, highly selectivity versus >250 other taergets in a Kme reader panel; inhibits PC3 cell proliferation with EC50 of 340 nM. (In Vitro) :UNC3866, a potent antagonist of the methyl-lysine (Kme) reading function of the Polycomb CBX and CDY families of chromodomains. UNC3866 binds the chromodomains of CBX4 and CBX7 most potently with a Kd of 100 nM for each, and is 6- to 18-fold selective versus seven other CBX and CDY chromodomains while being highly selective versus >250 other protein targets. UNC3866 inhibits PC3 cell proliferation, a known CBX7 phenotype, while UNC4219, a methylated negative control compound, has negligible effects. UNC3866 is a potent and cellularly active antagonist of PRC1 chromodomains. UNC3866 is the most potent ligand reported for CBX7 with a Kd of 97±2.4 nM. UNC3866 is equipotent for CBX4, which is most similar to CBX7, while it is 18-, 6- and 12-fold selective for CBX4/7 over CBX2, -6 and -8, respectively. Additionally, UNC3866 is 65-fold selective for CBX4/7 over CDY1 and 9-fold selective for CBX4/7 over CDYL1b and CDYL2.
CAS Number
1872382-47-2
Product Name Alternative
UNC 3866 | UNC-3866
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 27 mg/mL
Smiles
CC (C) (C) C1=CC=C (C (N[C@@H] (CC2=CC=CC=C2) C (N[C@@H] (C) C (N[C@@H] (CC (C) C) C (N[C@@H] (CCCCN (CC) CC) C (N[C@@H] (CO) C (OC) =O) =O) =O) =O) =O) =O) C=C1
Molecular Formula
C43H66N6O8
Molecular Weight
795.0195
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
L-Serine, N-[4- (1,1-dimethylethyl) benzoyl]-L-phenylalanyl-L-alanyl-L-leucyl-N6, N6-diethyl-L-lysyl-, methyl ester

Chemical Information

Unc3866

an antagonist of polycomb repressive complex 1; structure in first source

CAS Number1872382-47-2
PubChem CID101043861
IUPAC Namemethyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-6-(diethylamino)hexanoyl]amino]-3-hydroxypropanoate
Molecular FormulaC43H66N6O8
Molecular Weight795.0
XLogP5.5
Topological Polar Surface Area195
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count25
Heavy Atom Count57
Formal Charge0
Complexity1270
SMILES
CCN(CC)CCCC[C@@H](C(=O)N[C@@H](CO)C(=O)OC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1
InChIKey
UMRRDXVUROEIKJ-JCXBGQGISA-N
Chemical Structure
2D Structure
2D structure of Unc3866
CAS: 1872382-47-2
CID: 101043861
Formula: C43H66N6O8
MW: 795.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight795.0
XLogP35.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count25
Exact Mass794.49421308
Monoisotopic Mass794.49421308
Topological Polar Surface Area195 Ų
Heavy Atom Count57
Formal Charge0
Complexity1270
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A8725-2UNC3866
A11599-50UNC3866 50mg
A11599-1UNC3866 1mg
A11599-25UNC3866 25mg
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A11599-100UNC3866 100mg

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