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U-104 - ≥98%, high purity , CAS No.178606-66-1, Inhibitor of carbonic anhydrase 1;Inhibitor of carbonic anhydrase 12;Inhibitor of carbonic anhydrase 9

Moligand™

≥98%

CAS#: 178606-66-1
Formula: C₁₃H₁₂FN₃O₃S
Molecular Weight: 309.32
PubChem CID: 310360

Item Number

U129821

Grouped product items
SKU	Size	Availability	Price
U129821-5mg	5mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$19.90
U129821-25mg	25mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$79.90
U129821-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$249.90
U129821-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$499.90

Potent carbonic anhydrase (CA) IX and XII inhibitor

View related series

CA IX inhibitor CA XII inhibitor Carbonic Anhydrase

Basic Description

Synonyms	3n4b \| HMS3872E13 \| Q27467365 \| Benzenesulfonamide, 4-((((4-fluorophenyl)amino)carbonyl)amino)- \| HMS3651H21 \| EX-A904 \| 4-(((4-Fluoroanilino)carbonyl)amino)benzenesulfonamide \| BDBM50075183 \| AKOS001123930 \| NCGC00379154-03 \| SCHEMBL672955 \| NSC 213841 \|
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	Potent carbonic anhydrase (CA) inhibitor (Kivalues are 4.5, 45.1, 5080 and 9640 nM for CA XII, CA IX, CA I and CA II respectively in MDA-MB-231 cells). Inhibits tumor metastasis in the rat 4T1 metastasis model.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of carbonic anhydrase 1;Inhibitor of carbonic anhydrase 12;Inhibitor of carbonic anhydrase 9
Product Description	U-104 is a potent carbonic anhydrase (CA) inhibitor for CA IX and CA XII with Ki of 45.1 nM and 4.5 nM; low inhibition for CA I and CA II.

Associated Targets(Human)

CA1 Tclin Carbonic anhydrase 1 (1 Activities)

Discover Target: CA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase 2 (18 Activities)

Discover Target: CA2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA4 Tclin Carbonic anhydrase 4 (2 Activities)

Discover Target: CA4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA12 Tclin Carbonic anhydrase 12 (16 Activities)

Discover Target: CA12

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA9 Tclin Carbonic anhydrase 9 (20 Activities)

Discover Target: CA9

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA14 Tclin Carbonic anhydrase XIV (1305 Activities)

Discover Target: CA14

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA12 Tclin Carbonic anhydrase XII (6231 Activities)

Discover Target: CA12

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA9 Tclin Carbonic anhydrase IX (8255 Activities)

Discover Target: CA9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HT-29 (80576 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PC-3 (62116 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MDA-MB-231 (73002 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Ca7 Carbonic anhydrase VII (3 Activities)

Discover Target: Ca7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA4 Carbonic anhydrase IV (1713 Activities)

Discover Target: CA4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Schistosoma mansoni (6170 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

4T1 (1737 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

mtcA1 Uncharacterized protein Rv1284/MT1322 (182 Activities)

Discover Target: mtcA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (107 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Names and Identifiers

IUPAC Name	1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)urea
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)
InChi Key	YJQZNWPYLCNRLP-UHFFFAOYSA-N
Canonical SMILES	C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)F
Isomeric SMILES	C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)F
WGK Germany	3
PubChem CID	310360
Molecular Weight	309.32

Database links

PubChem CID	310360
ChEMBL Ligand	CHEMBL1615281
RCSB PDB Ligand	WWZ
BindingDB Ligand	50334354
CAS Registry No.	178606-66-1

Certificates

Certificate of Analysis(COA)

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3 results found

Lot Number	Certificate Type	Date	Item
C2405722	Certificate of Analysis	Feb 23, 2024	U129821
C2405724	Certificate of Analysis	Feb 23, 2024	U129821
F1708066	Certificate of Analysis	Jan 19, 2023	U129821

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 30.93, Max Conc. mM: 100

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H319:Causes serious eye irritation
Precautionary Statements	P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help.
WGK Germany	3

Alternative Products

References

1. Pacchiano F, Aggarwal M, Avvaru BS, Robbins AH, Scozzafava A, McKenna R, Supuran CT. (2010) Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency.. Chem Commun (Camb.), 46 (44): (8371-3). [PMID:20922253]
2. Pacchiano F, Carta F, McDonald PC, Lou Y, Vullo D, Scozzafava A, Dedhar S, Supuran CT. (2011) Ureido-substituted benzenesulfonamides potently inhibit carbonic anhydrase IX and show antimetastatic activity in a model of breast cancer metastasis.. J Med Chem, 54 (6): (1896-902). [PMID:21361354]
3. Carta F, Vullo D, Osman SM, AlOthman Z, Supuran CT. (2017) Synthesis and carbonic anhydrase inhibition of a series of SLC-0111 analogs.. Bioorg Med Chem, 25 (9): (2569-2576). [PMID:28347633]

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U-104 - ≥98%, high purity , CAS No.178606-66-1, Inhibitor of carbonic anhydrase 1;Inhibitor of carbonic anhydrase 12;Inhibitor of carbonic anhydrase 9

Basic Description

Associated Targets(Human)

Associated Targets(non-human)

Names and Identifiers

Database links

Certificates

Certificate of Analysis(COA)

Chemical and Physical Properties

Safety and Hazards(GHS)

Related Documents

Alternative Products

References

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator