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U-104

CAT: 0804-HY-13513-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-13513-02Size:10 mg
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Description
U-104 (SLC-0111) is a potent carbonic anhydrase (CA) inhibitor for CA IX and CA XII with Ki values of 45.1 nM and 4.5 nM, respectively. U-104 shows a significant delay in tumor growth in mice model[1][2].
CAS Number
178606-66-1
Product Name Alternative
SLC-0111
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Carbonic Anhydrase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/U-104.html
Purity
99.95
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=S(C1=CC=C(NC(NC2=CC=C(F)C=C2)=O)C=C1)(N)=O
Molecular Formula
C13H12FN3O3S
Molecular Weight
309.32
Precautions
H302, H315, H319, H335
References & Citations
[1]Lou Y, et al. Targeting tumor hypoxia: suppression of breast tumor growth and metastasis by novel carbonic anhydrase IX inhibitors. Cancer Res. 2011 May 1;71 (9) :3364-76.|[2]Lock FE, et al. Targeting carbonic anhydrase IX depletes breast cancer stem cells within the hypoxic niche. Oncogene. 2013 Oct 31;32 (44) :5210-9.|[3]Huarui Zhang, et al. Advances in the discovery of exosome inhibitors in cancer. J Enzyme Inhib Med Chem. 2020 Dec;35 (1) :1322-1330.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
CA IX; CA XII

Chemical Information

Slc-0111

SLC-0111 is it is a potent carbonic anhydrase inhibitor (Ki = 45.1 nM and 4.5 nM for CA IX and CA XII, respectively) that is in clinical trials for the treatment of hypoxic malignancies. It has a role as an EC 4.2.1.1 (carbonic anhydrase) inhibitor and an antineoplastic agent. It is a member of phenylureas, a sulfonamide and a member of monofluorobenzenes.

CAS Number178606-66-1
PubChem CID310360
IUPAC Name1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)urea
Molecular FormulaC13H12FN3O3S
Molecular Weight309.32
XLogP1.5
Topological Polar Surface Area110
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity450
SMILES
C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)F
InChI
InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
InChIKey
YJQZNWPYLCNRLP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Slc-0111
CAS: 178606-66-1
CID: 310360
Formula: C13H12FN3O3S
MW: 309.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.32
XLogP31.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass309.05834059
Monoisotopic Mass309.05834059
Topological Polar Surface Area110 Ų
Heavy Atom Count21
Formal Charge0
Complexity450
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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