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GQN-B37-E

CAT: 0013-GTR19236913-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236913-02Size:50 mg
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Description
GQN-B37-E is a potent and selective small molecule inhibitor of MCL-1, binding its BH3-binding groove with sub-micromolar affinity (Ki=0.6 μM) while showing minimal activity against BCL-2 or BCL-XL. It is a valuable research tool for studying apoptosis and MCL-1-dependent cancer mechanisms in both cellular and biochemical assays.
CAS Number
2982663-28-3
Field of Research
Cell Biology
Smiles
C (=C/C (N[C@@H] (CC=1C=2C (NC1) =CC=CC2) C (O) =O) =O) \C=3C (=NN (C3) C4=CC (Cl) =CC=C4) C5=CC=C (O) C=C5
Molecular Formula
C29H23ClN4O4
Molecular Weight
526.97
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Gqn-B37-E
CAS Number2982663-28-3
PubChem CID169097146
IUPAC Name(2S)-2-[[(E)-3-[1-(3-chlorophenyl)-3-(4-hydroxyphenyl)pyrazol-4-yl]prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Molecular FormulaC29H23ClN4O4
Molecular Weight527.0
XLogP5.2
Topological Polar Surface Area120
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity850
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)/C=C/C3=CN(N=C3C4=CC=C(C=C4)O)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C29H23ClN4O4/c30-21-4-3-5-22(15-21)34-17-19(28(33-34)18-8-11-23(35)12-9-18)10-13-27(36)32-26(29(37)38)14-20-16-31-25-7-2-1-6-24(20)25/h1-13,15-17,26,31,35H,14H2,(H,32,36)(H,37,38)/b13-10+/t26-/m0/s1
InChIKey
VWXROMVQLONCLB-ITMPFJHPSA-N
Chemical Structure
2D Structure
2D structure of Gqn-B37-E
CAS: 2982663-28-3
CID: 169097146
Formula: C29H23ClN4O4
MW: 527.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.0
XLogP35.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass526.1407829
Monoisotopic Mass526.1407829
Topological Polar Surface Area120 Ų
Heavy Atom Count38
Formal Charge0
Complexity850
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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