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Midostaurin

CAT: 1299-RM-M281000-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M281000-03Size:50 mg
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CAS Number
120685-11-2
Synonyms
N- ((5S,6R,7R,9R) -6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-17-oxa-4b,9a,15-triaza-5,9-methanodibenzo[b, h]cyclonona[jkl]cyclopenta[e]-as-indacen-7-yl) -N-methylbenzamide
Molecular Formula
C35H30N4O4
Molecular Weight
570.65
Target Alternative Name
Midostaurin
Product Name Synonym
N- ((5S,6R,7R,9R) -6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-17-oxa-4b,9a,15-triaza-5,9-methanodibenzo[b, h]cyclonona[jkl]cyclopenta[e]-as-indacen-7-yl) -N-methylbenzamide

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
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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

Alternative Products

CatalogName
T3211-01Midostaurin
B3709-10Midostaurin (PKC412)
TRC-M343764-50MGMidostaurin-D5
HY-W751179Midostaurin-13C6
HY-10230R-01Midostaurin (Standard)

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