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U-104 5mg

CAT: 0628-A14959-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A14959-5Size:5 mg
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CAS Number
178606-66-1

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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Alternative Products

CatalogName
HY-13513-01U-104
256988-01U 104
MBS130731-01U-104, NSC-213841; MST-104
SD7180-5mgU-104 (Carbonic Anhydrase inhibitor)

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