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MRX-2843 (Standard)

CAT: 0804-HY-101549RSize: 1 EachDry Ice: NoHazardous: No
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Description
MRX-2843 (Standard) is the analytical standard of MRX-2843. This product is intended for research and analytical applications. MRX-2843 (UNC2371) is an orally active, ATP-competitive dual MERTK and FLT3 tyrosine kinases inhibitor (TKI) with enzymatic IC50s of 1.3 nM for MERTK and 0.64 nM for FLT3, respectively[1].
CAS Number
1429882-07-4
Target
FLT3; Reference Standards
Related Pathways
Others; Protein Tyrosine Kinase/RTK
Field of Research
Cancer
Smiles
O[C@H]1CC[C@H](N2C=C(C3=CC=C(CN4CCN(C)CC4)C=C3)C5=CN=C(NCCC6CC6)N=C52)CC1
Molecular Formula
C29H40N6O
Molecular Weight
488.67
References & Citations
[1]Minson KA, et al. The MERTK/FLT3 inhibitor MRX-2843 overcomes resistance-conferring FLT3 mutations in acute myeloid leukemia. JCI Insight. 2016 Mar;1 (3) :e85630.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

4-(2-(2-Cyclopropylethylamino)-5-(4-((4-methylpiperazin-1-yl)methyl)phenyl)pyrrolo(2,3-d)pyrimidin-7-yl)cyclohexan-1-ol

See also: Mrx-2843 (annotation moved to).

CAS Number1429882-07-4
PubChem CID89495685
IUPAC Name4-[2-(2-cyclopropylethylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
Molecular FormulaC29H40N6O
Molecular Weight488.7
XLogP4.2
Topological Polar Surface Area69.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity681
SMILES
CN1CCN(CC1)CC2=CC=C(C=C2)C3=CN(C4=NC(=NC=C34)NCCC5CC5)C6CCC(CC6)O
InChI
InChI=1S/C29H40N6O/c1-33-14-16-34(17-15-33)19-22-4-6-23(7-5-22)27-20-35(24-8-10-25(36)11-9-24)28-26(27)18-31-29(32-28)30-13-12-21-2-3-21/h4-7,18,20-21,24-25,36H,2-3,8-17,19H2,1H3,(H,30,31,32)
InChIKey
LBEJYFVJIPQSNX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-(2-Cyclopropylethylamino)-5-(4-((4-methylpiperazin-1-yl)methyl)phenyl)pyrrolo(2,3-d)pyrimidin-7-yl)cyclohexan-1-ol
CAS: 1429882-07-4
CID: 89495685
Formula: C29H40N6O
MW: 488.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.7
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass488.32635992
Monoisotopic Mass488.32635992
Topological Polar Surface Area69.5 Ų
Heavy Atom Count36
Formal Charge0
Complexity681
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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A16958-10MRX-2843 10mg
A16958-100MRX-2843 100mg
A16958-50MRX-2843 50mg

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