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PCI-27483 1mg

CAT: 0628-A14368-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A14368-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
871266-63-6

Chemical Information

Pci-27483

PCI-27483 has been used in trials studying the treatment of Pancreatic Cancer, Ductal Adrenocarcinoma, and Exocrine Pancreatic Cancer.

CAS Number871266-63-6
PubChem CID135425273
IUPAC Name(2S)-2-[[2-[3-(6-carbamimidoyl-1H-benzimidazol-2-yl)-4-hydroxy-5-(2-hydroxy-5-sulfamoylphenyl)phenyl]acetyl]amino]butanedioic acid
Molecular FormulaC26H24N6O9S
Molecular Weight596.6
XLogP-0.1
Topological Polar Surface Area291
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity1150
SMILES
C1=CC2=C(C=C1C(=N)N)NC(=N2)C3=CC(=CC(=C3O)C4=C(C=CC(=C4)S(=O)(=O)N)O)CC(=O)N[C@@H](CC(=O)O)C(=O)O
InChI
InChI=1S/C26H24N6O9S/c27-24(28)12-1-3-17-18(8-12)32-25(31-17)16-6-11(7-21(34)30-19(26(38)39)10-22(35)36)5-15(23(16)37)14-9-13(42(29,40)41)2-4-20(14)33/h1-6,8-9,19,33,37H,7,10H2,(H3,27,28)(H,30,34)(H,31,32)(H,35,36)(H,38,39)(H2,29,40,41)/t19-/m0/s1
InChIKey
WDJHHCAKBRKCLW-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of Pci-27483
CAS: 871266-63-6
CID: 135425273
Formula: C26H24N6O9S
MW: 596.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight596.6
XLogP3-0.1
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass596.13254754
Monoisotopic Mass596.13254754
Topological Polar Surface Area291 Ų
Heavy Atom Count42
Formal Charge0
Complexity1150
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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