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Cruzain-IN-1

CAT: 0957-S0722-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-S0722-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1199523-24-4
Synonyms
ML920
Target
Cysteine Protease
Applications
Proteases
Smiles
CCN1C=NC2=C (N=C (N=C21) C#N) NC3=CC (=CC (=C3) F) F
Molecular Formula
C14H10F2N6
Additionnal Information
Cruzain-IN-1 is a selective inhibitor of trypanosomal cysteine proteases and a covalent and reversible Cruzain inhibitor with IC50 of 10 nM.
Storage Conditions
3 years -20°C powder

Chemical Information

Cruzain-IN-1

6-(3,5-difluoroanilino)-9-ethyl-2-purinecarbonitrile is a member of 6-aminopurines.

CAS Number1199523-24-4
PubChem CID44143088
IUPAC Name6-(3,5-difluoroanilino)-9-ethylpurine-2-carbonitrile
Molecular FormulaC14H10F2N6
Molecular Weight300.27
XLogP2.5
Topological Polar Surface Area79.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity430
SMILES
CCN1C=NC2=C(N=C(N=C21)C#N)NC3=CC(=CC(=C3)F)F
InChI
InChI=1S/C14H10F2N6/c1-2-22-7-18-12-13(20-11(6-17)21-14(12)22)19-10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,19,20,21)
InChIKey
SZYYBVWPURUFRR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cruzain-IN-1
CAS: 1199523-24-4
CID: 44143088
Formula: C14H10F2N6
MW: 300.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.27
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass300.09350067
Monoisotopic Mass300.09350067
Topological Polar Surface Area79.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity430
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BA2183-50Cruzain-IN-1
A21878-200Cruzain-IN-1 200mg
A21878-10Cruzain-IN-1 10mg
A21878-50Cruzain-IN-1 50mg
A21878-25Cruzain-IN-1 25mg
A21878-100Cruzain-IN-1 100mg
A21878-5Cruzain-IN-1 5mg
A21878-1Cruzain-IN-1 1mg
A21878-10mM-DCruzain-IN-1 10mM * 1mL in DMSO
OF59775-011,1,1,1,1-Kestoheptaose

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