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UNC3866

CAT: 0957-S8359-01Size: 5 mgDry Ice: YesHazardous: No
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CAT#:0957-S8359-01Size:5 mg
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Description
UNC3866 is a potent antagonist of the methyllysine (Kme) reading function of the Polycomb CBX and CDY families of chromodomains. UNC3866 binds the chromodomains of CBX4 and CBX7 most potently, with a K (d) of ∼100 nM for each, and is 6- to 18-fold selective as compared to seven other CBX and CDY chromodomains.
CAS Number
1872382-47-2
Target
Histone Methyltransferase
Activity
Epigenetics
Molecular Formula
C43H66N6O8
Storage Conditions
2 years -80 in solvent

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

Alternative Products

CatalogName
A8725-2UNC3866
A11599-50UNC3866 50mg
A11599-1UNC3866 1mg
A11599-25UNC3866 25mg
HY-100832AUNC3866 (TFA)
A11599-100UNC3866 100mg
A11599-10UNC3866 10mg
A11599-5UNC3866 5mg
A11599-10mM-DUNC3866 10mM * 1mL in DMSO
T4021L-01UNC3866 TFA (1872382-47-2 free base)

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