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UK-371804 HCl

CAT: 1568-C13431-01Size: 5 mgDry Ice: YesHazardous: No
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CAT#:1568-C13431-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
256476-36-5
SKU
C13431-5mg
Target
Serine Protease
Applications
Proteases
Smiles
CC (C) (C (=O) O) NS (=O) (=O) C1=CC2=C (C=C1) C (=CN=C2N=C (N) N) Cl.Cl
Molecular Formula
C14H16ClN5O4S.HCl
Additionnal Information
UK-371804 is a potent and selective urokinase-type plasmogen activator (uPA) inhibitor with excellent enzyme potency (Ki=10 nM) and selectivity profile (4000-fold versus tPA and 2700-fold versus plasmin) .
Storage Conditions
2 years -80 in solvent

Chemical Information

UK-371804 HCl
CAS Number256476-36-5
PubChem CID16657953
IUPAC Name2-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]-2-methylpropanoic acid;hydrochloride
Molecular FormulaC14H17Cl2N5O4S
Molecular Weight422.3
Topological Polar Surface Area169
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity644
SMILES
CC(C)(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C(=CN=C2N=C(N)N)Cl.Cl
InChI
InChI=1S/C14H16ClN5O4S.ClH/c1-14(2,12(21)22)20-25(23,24)7-3-4-8-9(5-7)11(19-13(16)17)18-6-10(8)15;/h3-6,20H,1-2H3,(H,21,22)(H4,16,17,18,19);1H
InChIKey
IUBFETAFRGVODB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of UK-371804 HCl
CAS: 256476-36-5
CID: 16657953
Formula: C14H17Cl2N5O4S
MW: 422.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass421.0378306
Monoisotopic Mass421.0378306
Topological Polar Surface Area169 Ų
Heavy Atom Count26
Formal Charge0
Complexity644
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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T3442-01UK-371804
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A17165-50UK-371804 50mg
A17165-500UK-371804 500mg
A17165-100UK-371804 100mg
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A17165-1UK-371804 1mg

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