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UU-T02

CAT: 0013-GTR19154037-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154037-02Size:10 mg
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Description
UU-T02 is a novel potent, selective small-molecule inhibitor of β-catenin/Tcf4 interaction with Ki of 1.36 uM.
CAS Number
1500080-17-0
Purity
>97%
Smiles
O=C (O) CC[C@H] (NC ([C@@H] (NC ([C@@H] (NC (CC (N1) =CC2=C1C=CC (Cl) =C2) =O) CC3=CC=C4C=CC=CC4=C3) =O) CC (O) =O) =O) C (OC) =O
Molecular Formula
C33H33ClN4O9
Molecular Weight
665.096
Notes
For research use only.

Chemical Information

(S)-4-((S)-3-Carboxy-2-((S)-2-(2-(5-chloro-1H-indol-2-yl)acetamido)-3-(naphthalen-2-yl)propanamido)propanamido)-5-methoxy-5-oxopentanoic acid
CAS Number1500080-17-0
PubChem CID90656496
IUPAC Name(4S)-4-[[(2S)-3-carboxy-2-[[(2S)-2-[[2-(5-chloro-1H-indol-2-yl)acetyl]amino]-3-naphthalen-2-ylpropanoyl]amino]propanoyl]amino]-5-methoxy-5-oxopentanoic acid
Molecular FormulaC33H33ClN4O9
Molecular Weight665.1
XLogP3.2
Topological Polar Surface Area204
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count16
Heavy Atom Count47
Formal Charge0
Complexity1160
SMILES
COC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)CC3=CC4=C(N3)C=CC(=C4)Cl
InChI
InChI=1S/C33H33ClN4O9/c1-47-33(46)25(10-11-29(40)41)37-32(45)27(17-30(42)43)38-31(44)26(13-18-6-7-19-4-2-3-5-20(19)12-18)36-28(39)16-23-15-21-14-22(34)8-9-24(21)35-23/h2-9,12,14-15,25-27,35H,10-11,13,16-17H2,1H3,(H,36,39)(H,37,45)(H,38,44)(H,40,41)(H,42,43)/t25-,26-,27-/m0/s1
InChIKey
SGTICZUBRHDIMI-QKDODKLFSA-N
Chemical Structure
2D Structure
2D structure of (S)-4-((S)-3-Carboxy-2-((S)-2-(2-(5-chloro-1H-indol-2-yl)acetamido)-3-(naphthalen-2-yl)propanamido)propanamido)-5-methoxy-5-oxopentanoic acid
CAS: 1500080-17-0
CID: 90656496
Formula: C33H33ClN4O9
MW: 665.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight665.1
XLogP33.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count16
Exact Mass664.1936063
Monoisotopic Mass664.1936063
Topological Polar Surface Area204 Ų
Heavy Atom Count47
Formal Charge0
Complexity1160
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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