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MC4033

CAT: 0804-HY-149302-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-149302-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MC4033 shows IC50s of 39.4 μM, 52.1 μM, 41 μM and 30.1 μM in HCT116, H1299, A549 and U937, respectively[1]. MC4033 (25, 50, 100, and 200 μM, 72 h) reduces the level of H4K16Ac in HT29 cells, suggesting its ability to inhibit KAT8 in cells[1].
CAS Number
28532-21-0
UNSPSC
12352005
Target
Apoptosis; Autophagy; Histone Acetyltransferase
Type
Reference compound
Related Pathways
Apoptosis; Autophagy; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/mc4033.html
Purity
98.26
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
CC1=NN(C2=CC=C(C=C2)C(O)=O)C(/C1=C\C3=CC=CN3)=O
Molecular Formula
C16H13N3O3
Molecular Weight
295.29
References & Citations
[1]Fiorentino F, et al. First-in-Class Selective Inhibitors of the Lysine Acetyltransferase KAT8. J Med Chem. 2023 May 25;66 (10) :6591-6616
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

CID 169492942
CAS Number28532-21-0
PubChem CID169492942
IUPAC Name4-[(4Z)-3-methyl-5-oxo-4-(1H-pyrrol-2-ylmethylidene)pyrazol-1-yl]benzoic acid
Molecular FormulaC16H13N3O3
Molecular Weight295.29
XLogP1.7
Topological Polar Surface Area85.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity533
SMILES
CC\1=NN(C(=O)/C1=C\C2=CC=CN2)C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C16H13N3O3/c1-10-14(9-12-3-2-8-17-12)15(20)19(18-10)13-6-4-11(5-7-13)16(21)22/h2-9,17H,1H3,(H,21,22)/b14-9-
InChIKey
WBHVGUYXAZIVHV-ZROIWOOFSA-N
Chemical Structure
2D Structure
2D structure of CID 169492942
CAS: 28532-21-0
CID: 169492942
Formula: C16H13N3O3
MW: 295.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.29
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass295.09569129
Monoisotopic Mass295.09569129
Topological Polar Surface Area85.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity533
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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