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PKC-412

CAT: 0013-GTR19171332-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171332-01Size:5 mg
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Description
Midostaurin
CAS Number
120685-11-2
Product Name Alternative
Midostaurin; CGP-41251
Field of Research
Cell Biology
Purity
>98%
Bioactivity
Protein kinase inhibitor (pan specific)
Form
Powder
Solubility
Soluble in DMSO (up to 15 mg/ml) or in Ethanol (up to 2 mg/ml) .
Smiles
COC1C (CC2OC1 (C) n1c3ccccc3c3c4CNC (=O) c4c4c5ccccc5n2c4c13) N (C) C (=O) c1ccccc1
Molecular Formula
C35H30N4O4
Molecular Weight
570.7
Storage Conditions
RT
Notes
For research use only.
Other Product Names
4’-N-Benzoyl staurosporine

Chemical Information

Midostaurin

Midostaurin is an organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine. It has a role as an antineoplastic agent and an EC 2.7.11.13 (protein kinase C) inhibitor. It is a member of benzamides, an organic heterooctacyclic compound, an indolocarbazole and a gamma-lactam. It is functionally related to a staurosporine.

CAS Number120685-11-2
PubChem CID9829523
IUPAC NameN-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide
Molecular FormulaC35H30N4O4
Molecular Weight570.6
XLogP4.8
Topological Polar Surface Area77.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count43
Formal Charge0
Complexity1140
SMILES
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC
InChI
InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
InChIKey
BMGQWWVMWDBQGC-IIFHNQTCSA-N
Chemical Structure
2D Structure
2D structure of Midostaurin
CAS: 120685-11-2
CID: 9829523
Formula: C35H30N4O4
MW: 570.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight570.6
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass570.22670545
Monoisotopic Mass570.22670545
Topological Polar Surface Area77.7 Ų
Heavy Atom Count43
Formal Charge0
Complexity1140
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A12650-50PKC 412 50mg
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