β-catenin-IN-4

CAT: 0931-T72829-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T72829-01Size:25 mg

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CAS Number

2353536-67-9

Target

Wnt/beta-catenin, Others

Related Pathways

Cytoskeletal Signaling, Stem Cells, Others

Bioactivity

β-Catenin-IN-4 is a β-catenin inhibitor characterized by a K_i value of 0.64 μM. This compound effectively lowers the protein expression levels of cyclin D1 and c-Myc.

Smiles

C(N[C@@H](CC1=CC2=C(C=C1)C=CC=C2)C(N[C@H](C(N[C@H](C(NC3=CC=C(OC(F)(F)F)C=C3)=O)CCC(O)=O)=O)CC(O)=O)=O)(=O)C=4NC=5C(C4)=CC(Cl)=CC5

Molecular Formula

C38H33ClF3N5O9

Molecular Weight

796.14

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

beta-catenin-IN-4

CAS Number	2353536-67-9
PubChem CID	155522343
IUPAC Name	(4S)-4-[[(2S)-3-carboxy-2-[[(2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-naphthalen-2-ylpropanoyl]amino]propanoyl]amino]-5-oxo-5-[4-(trifluoromethoxy)anilino]pentanoic acid
Molecular Formula	C38H33ClF3N5O9
Molecular Weight	796.1
XLogP	5.7
Topological Polar Surface Area	216
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	16
Heavy Atom Count	56
Formal Charge	0
Complexity	1420

SMILES

C1=CC=C2C=C(C=CC2=C1)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC3=CC=C(C=C3)OC(F)(F)F)NC(=O)C4=CC5=C(N4)C=CC(=C5)Cl

InChI

InChI=1S/C38H33ClF3N5O9/c39-24-7-12-27-23(17-24)18-30(44-27)36(54)46-29(16-20-5-6-21-3-1-2-4-22(21)15-20)35(53)47-31(19-33(50)51)37(55)45-28(13-14-32(48)49)34(52)43-25-8-10-26(11-9-25)56-38(40,41)42/h1-12,15,17-18,28-29,31,44H,13-14,16,19H2,(H,43,52)(H,45,55)(H,46,54)(H,47,53)(H,48,49)(H,50,51)/t28-,29-,31-/m0/s1

InChIKey

MLLGKYJIOWULMN-QMOZSOIISA-N

Chemical Structure

2D Structure

CAS: 2353536-67-9

CID: 155522343

Formula: C38H33ClF3N5O9

MW: 796.1

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	796.1
XLogP3	5.7
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	16
Exact Mass	795.1918898
Monoisotopic Mass	795.1918898
Topological Polar Surface Area	216 Å²
Heavy Atom Count	56
Formal Charge	0
Complexity	1420
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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T39200	β-catenin-IN-37
T201581-01	β-catenin-IN-8
T78919-01	β-catenin-IN-7
T9696-01	β-catenin-IN-2
T89563-01	β-Catenin modulator-7
T79104-01	β-Catenin modulator-5
T209330-01	Wnt/β-catenin-IN-1

Alternative Products

Catalog	Name
BA9150-25	β-catenin-IN-4
HY-133179-01	Wnt/β-catenin-IN-4
MBS5815098	beta-catenin-IN-4
GTR19230704-01	β-Catenin modulator-4
HY-151520-01	Wnt/β-catenin agonist 4
BUP10385-01	Wnt/ß-catenin agonist 4
MBS5820764	beta-Catenin modulator-4
367756	PKP4 (p0071, Plakophilin 4, Catenin 4)
053169	β-catenin (Beta Catenin)
MBS5803526	Wnt/beta-catenin agonist 4

β-catenin-IN-4

Chemical Information

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