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BSc5371

CAT: 0804-HY-111545Size: 1 EachDry Ice: NoHazardous: No
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Description
BSc5371 is a potent and irreversible FLT3 inhibitor, with Kds of 1.3, 0.83, 1.5, 5.8 and 2.3 nM for mutant FLT3 (D835H), FLT3 (ITD, D835V), FLT3 (ITD, F691L), FLT3-ITD and wild type FLT3wt, respectively. BSc5371 is cytotoxic to FLT3-dependent cell lines[1].
CAS Number
2286419-03-0
UNSPSC
12352005
Target
FLT3
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/BSc5371.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=C(C)NC(/C=C2C(NC3=C\2C=C(NS(=O)(C=C)=O)C=C3)=O)=C1C)NCCN(CC)CC
Molecular Formula
C24H31N5O4S
Molecular Weight
485.60
References & Citations
[1]Bensinger D, et al. Virtual Screening Identifies Irreversible FMS-like Tyrosine Kinase 3 Inhibitors with Activity toward Resistance-Conferring Mutations. J Med Chem. 2019 Mar 14;62 (5) :2428-2446.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(ethenylsulfonylamino)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CAS Number2286419-03-0
PubChem CID137628656
IUPAC NameN-[2-(diethylamino)ethyl]-5-[(Z)-[5-(ethenylsulfonylamino)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Molecular FormulaC24H31N5O4S
Molecular Weight485.6
XLogP2
Topological Polar Surface Area132
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity896
SMILES
CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)NS(=O)(=O)C=C)NC2=O)C
InChI
InChI=1S/C24H31N5O4S/c1-6-29(7-2)12-11-25-24(31)22-15(4)21(26-16(22)5)14-19-18-13-17(28-34(32,33)8-3)9-10-20(18)27-23(19)30/h8-10,13-14,26,28H,3,6-7,11-12H2,1-2,4-5H3,(H,25,31)(H,27,30)/b19-14-
InChIKey
OXJJSKDUGJXXAV-RGEXLXHISA-N
Chemical Structure
2D Structure
2D structure of N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(ethenylsulfonylamino)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CAS: 2286419-03-0
CID: 137628656
Formula: C24H31N5O4S
MW: 485.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.6
XLogP32
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass485.20967566
Monoisotopic Mass485.20967566
Topological Polar Surface Area132 Ų
Heavy Atom Count34
Formal Charge0
Complexity896
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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