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RMS-07

CAT: 0804-HY-144308Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-144308Size:1 Each
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Description
RMS-07 is a covalent Monopolar Spindle Kinase 1 (MPS1/TTK) inhibitor, with an apparent IC50 of 13.1 nM. RMS-07 targets a poorly conserved cysteine in the kinase's hinge region[1].
CAS Number
2645409-78-3
UNSPSC
12352005
Target
Mps1
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Cytoskeleton
Applications
Cancer-Kinase/protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/rms-07.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=C2CCC3=CN=C(NC4=CC=C(N5CCN(C)CC5)C=C4NC(C=C)=O)N=C3N2C=C1)NC6=C(CC)C=CC=C6CC
Molecular Formula
C35H40N8O2
Molecular Weight
604.74
References & Citations
[1]Ricardo A M Serafim, et al. Development of the First Covalent Monopolar Spindle Kinase 1 (MPS1/TTK) Inhibitor. J Med Chem. 2022 Feb 24;65 (4) :3173-3192.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-(2,6-diethylphenyl)-2-[4-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)anilino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
CAS Number2645409-78-3
PubChem CID163196379
IUPAC NameN-(2,6-diethylphenyl)-2-[4-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)anilino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
Molecular FormulaC35H40N8O2
Molecular Weight604.7
XLogP5.3
Topological Polar Surface Area107
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count45
Formal Charge0
Complexity1010
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)C2=C3CCC4=CN=C(N=C4N3C=C2)NC5=C(C=C(C=C5)N6CCN(CC6)C)NC(=O)C=C
InChI
InChI=1S/C35H40N8O2/c1-5-23-9-8-10-24(6-2)32(23)39-34(45)27-15-16-43-30(27)14-11-25-22-36-35(40-33(25)43)38-28-13-12-26(21-29(28)37-31(44)7-3)42-19-17-41(4)18-20-42/h7-10,12-13,15-16,21-22H,3,5-6,11,14,17-20H2,1-2,4H3,(H,37,44)(H,39,45)(H,36,38,40)
InChIKey
QMTKZAHTDPRIFJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2,6-diethylphenyl)-2-[4-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)anilino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
CAS: 2645409-78-3
CID: 163196379
Formula: C35H40N8O2
MW: 604.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight604.7
XLogP35.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass604.32742255
Monoisotopic Mass604.32742255
Topological Polar Surface Area107 Ų
Heavy Atom Count45
Formal Charge0
Complexity1010
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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