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UR778Br

CAT: 0013-GTR19236281-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236281-01Size:1 mg
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Description
UR778Br is a small molecule inhibitor targeting the GRD domain of IQGAP1. It selectively inhibits AML cell proliferation by inducing G2/M cell cycle arrest and apoptosis, suppressing colony formation in vitro while sparing normal bone marrow cells, making it a candidate for leukemia research.
CAS Number
866127-80-2
Field of Research
Cell Biology
Smiles
O=C (C=1C=CC=CC1O) CC2 (O) C (=O) N (C3=CC=C (Br) C=C32) CCCC
Molecular Formula
C20H20BrNO4
Molecular Weight
418.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-bromo-1-butyl-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one
CAS Number866127-80-2
PubChem CID15993199
IUPAC Name5-bromo-1-butyl-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one
Molecular FormulaC20H20BrNO4
Molecular Weight418.3
XLogP3.7
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity542
SMILES
CCCCN1C2=C(C=C(C=C2)Br)C(C1=O)(CC(=O)C3=CC=CC=C3O)O
InChI
InChI=1S/C20H20BrNO4/c1-2-3-10-22-16-9-8-13(21)11-15(16)20(26,19(22)25)12-18(24)14-6-4-5-7-17(14)23/h4-9,11,23,26H,2-3,10,12H2,1H3
InChIKey
JRUXICTUJPRUER-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-bromo-1-butyl-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one
CAS: 866127-80-2
CID: 15993199
Formula: C20H20BrNO4
MW: 418.3
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight418.3
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass417.05757
Monoisotopic Mass417.05757
Topological Polar Surface Area77.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity542
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-163707-01UR778Br

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