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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

HDAC6 Tclin Histone deacetylase 6 0 Activities

Discover Target: HDAC6

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

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)

CA14 Tclin Carbonic anhydrase 14 0 Activities

Discover Target: CA14

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)

CA7 Tclin Carbonic anhydrase 7 0 Activities

Discover Target: CA7

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

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

PubChem CID

ChEMBL Ligand

RCSB PDB Ligand

BindingDB Ligand

CAS Registry No.

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

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

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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