Carbonic Anhydrase IX/XII Inhibitor II(U-104)
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Carbonic Anhydrase IX/XII Inhibitor II(U-104)
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CAS No:
178606-66-1
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Formula:
C13H12FN3O3S
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Chemical Name:
Carbonic Anhydrase IX/XII Inhibitor II(U-104)
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Synonyms:
Carbonic Anhydrase IX/XII Inhibitor II(U-104);U-104;MST-104 ;4-[[[(4-Fluorophenyl)amino]carbonyl]amino]benzenesulfonamide;NSC 213841;4-[[[(4-Fluorophenyl)aMino]carbonyl]aMino]-benzenesulfonaMide, NSC 213841;Benzenesulfonamide, 4-[[[(4-fluorophenyl)amino]carbonyl]amino]-;4-(3-(4-fluorophenyl)ureido)benzenesulfonamide
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CAS No:
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.IC50 value: 45.1 nM/4.5 nM(Ki, CA IX/CA XII) [1]Target: Carbonic anhydrase inhibitorin vitro: U-104 (50 μM) blocks the mesenchymal phenotype in the cancer stem cells population in hypoxia condition of 4T1 cells. U-104 (<50 μM) significantly reduces migration in a dose-dependent manner in metastatic MDA-MB-231 LM2-4Luc+ cells , with cells growing as com
Characteristics
110
1.5
white to beige
1.523±0.06 g/cm3 (20 ºC 760 Torr)
242-243℃
1.673
DMSO: >15mg/mL
2-8°C
Safety Information
NONH for all modes of transport
3
36
26
Xi
P264, P280, P305+P351+P338, P33, P313
H319
Computed Properties
Molecular Weight:309.32
XLogP3:1.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:309.05834059
Monoisotopic Mass:309.05834059
Topological Polar Surface Area:110
Heavy Atom Count:21
Complexity:450
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Carbonic Anhydrase IX/XII Inhibitor II(U-104)
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