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UKI-1

CAS No.:
220355-63-5
Catalog Number:
AG00BF82
Molecular Formula:
C32H47N5O5S
Molecular Weight:
613.8111
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
97%
1 week
United States
$307
- +
5mg
97%
1 week
United States
$640
- +
10mg
97%
1 week
United States
$890
- +
50mg
97%
1 week
United States
$2557
- +
100mg
97%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG00BF82
Chemical Name:
UKI-1
CAS Number:
220355-63-5
Molecular Formula:
C32H47N5O5S
Molecular Weight:
613.8111
MDL Number:
MFCD30343853
IUPAC Name:
ethyl 4-[(2S)-3-(3-carbamimidoylphenyl)-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propanoyl]piperazine-1-carboxylate
InChI:
InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28-/m0/s1
InChI Key:
ISJSHQTWOHGCMM-NDEPHWFRSA-N
SMILES:
CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)Cc1cccc(c1)C(=N)N
UNII:
00LOF6890B
Properties
Complexity:
1030  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
613.33g/mol
Formal Charge:
0
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
613.818g/mol
Monoisotopic Mass:
613.33g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Literature
Title Journal
Synthesis and evaluation of non-basic inhibitors of urokinase-type plasminogen activator (uPA). Bioorganic & medicinal chemistry 20120215
Fragment-based discovery of mexiletine derivatives as orally bioavailable inhibitors of urokinase-type plasminogen activator. Journal of medicinal chemistry 20080124
Secondary amides of sulfonylated 3-amidinophenylalanine. New potent and selective inhibitors of matriptase. Journal of medicinal chemistry 20060713
Suppression of rat breast cancer metastasis and reduction of primary tumour growth by the small synthetic urokinase inhibitor WX-UK1. Thrombosis and haemostasis 20050401
Inhibition of the invasion capacity of carcinoma cells by WX-UK1, a novel synthetic inhibitor of the urokinase-type plasminogen activator system. International journal of cancer 20040720
3-Amidinophenylalanine-based inhibitors of urokinase. Bioorganic & medicinal chemistry letters 19991101
Properties