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Sotrastaurin 10mg

CAT: 0628-A11554-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A11554-10Size:10 mg
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CAS Number
425637-18-9

Chemical Information

Sotrastaurin

Sotrastaurin is a member of the class of maleimides that is maleimide which is substituted at position 3 by an indol-3-yl group and at position 4 by a quinazolin-4-yl group, which in turn is substituted at position 2 by a 4-methylpiperazin-1-yl group. It is a potent and selective inhibitor of protein kinase C and has been investigated as an immunosuppresant in renal transplant patients. It has a role as an anticoronaviral agent, an immunosuppressive agent and an EC 2.7.11.13 (protein kinase C) inhibitor. It is a member of indoles, a member of quinazolines, a N-alkylpiperazine, a N-arylpiperazine and a member of maleimides.

CAS Number425637-18-9
PubChem CID10296883
IUPAC Name3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione
Molecular FormulaC25H22N6O2
Molecular Weight438.5
XLogP2.6
Topological Polar Surface Area94.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity822
SMILES
CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65
InChI
InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)
InChIKey
OAVGBZOFDPFGPJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sotrastaurin
CAS: 425637-18-9
CID: 10296883
Formula: C25H22N6O2
MW: 438.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.5
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass438.18042397
Monoisotopic Mass438.18042397
Topological Polar Surface Area94.2 Ų
Heavy Atom Count33
Formal Charge0
Complexity822
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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