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UU-T03

CAT: 0013-GTR19154200-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154200-02Size:10 mg
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Description
UU-T03 is the ethyl ester derivative of UU-T02, which is a potent, selective inhibitor of β-catenin/Tcf4 interaction with Ki of 1.36 uM; exhibits growth inhibition of SW480 cells with IC50 of 10.77 uM; downregulates the transcription of AXIN2, LGR5, cyclin D1, and c-Myc in dose-dependent manners in SW480 cells.
CAS Number
1586007-00-2
Purity
>98%
Smiles
C (C) (O) (=O) [C@H] (CCC (CC) (O) =O) NC (=O) [C@@H] (NC (=O) [C@@H] (NC (=O) CC1=CC2=C (C=CC (Cl) =C2) N1) CC1=CC=C2C (C=CC=C2) =C1) CC (OCC) =O
Molecular Formula
C37H41ClN4O9
Molecular Weight
721.204
Notes
For research use only.

Chemical Information

(S)-5-Ethyl 1-methyl 2-((S)-2-((S)-2-(2-(5-chloro-1H-indol-2-yl)acetamido)-3-(naphthalen-2-yl)propanamido)-4-ethoxy-4-oxobutanamido)pentanedioate
CAS Number1586007-00-2
PubChem CID145710055
IUPAC Name5-O-ethyl 1-O-methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[2-(5-chloro-1H-indol-2-yl)acetyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-4-ethoxy-4-oxobutanoyl]amino]pentanedioate
Molecular FormulaC37H41ClN4O9
Molecular Weight721.2
XLogP4.6
Topological Polar Surface Area182
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count20
Heavy Atom Count51
Formal Charge0
Complexity1220
SMILES
CCOC(=O)CC[C@@H](C(=O)OC)NC(=O)[C@H](CC(=O)OCC)NC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)CC3=CC4=C(N3)C=CC(=C4)Cl
InChI
InChI=1S/C37H41ClN4O9/c1-4-50-33(44)15-14-29(37(48)49-3)41-36(47)31(21-34(45)51-5-2)42-35(46)30(17-22-10-11-23-8-6-7-9-24(23)16-22)40-32(43)20-27-19-25-18-26(38)12-13-28(25)39-27/h6-13,16,18-19,29-31,39H,4-5,14-15,17,20-21H2,1-3H3,(H,40,43)(H,41,47)(H,42,46)/t29-,30-,31-/m0/s1
InChIKey
OEJMKUIYROSICC-CHQNGUEUSA-N
Chemical Structure
2D Structure
2D structure of (S)-5-Ethyl 1-methyl 2-((S)-2-((S)-2-(2-(5-chloro-1H-indol-2-yl)acetamido)-3-(naphthalen-2-yl)propanamido)-4-ethoxy-4-oxobutanamido)pentanedioate
CAS: 1586007-00-2
CID: 145710055
Formula: C37H41ClN4O9
MW: 721.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight721.2
XLogP34.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count20
Exact Mass720.2562066
Monoisotopic Mass720.2562066
Topological Polar Surface Area182 Ų
Heavy Atom Count51
Formal Charge0
Complexity1220
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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