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RMS-07

CAT: 0013-GTR19212067-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212067-01Size:25 mg
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Description
RMS-07 is a potent and selective covalent inhibitor of MPS1 kinase (TTK), with an IC50 of 13.1 nM, targeting a unique cysteine in its hinge region. This small molecule is a valuable chemical probe for studying mitosis, chromosome segregation, and aneuploidy in both cellular and in vivo cancer research models.
CAS Number
2645409-78-3
Field of Research
Signal Transduction
Smiles
C (NC1=C (CC) C=CC=C1CC) (=O) C2=C3N (C=4C (CC3) =CN=C (NC5=C (NC (C=C) =O) C=C (C=C5) N6CCN (C) CC6) N4) C=C2
Molecular Formula
C35H40N8O2
Molecular Weight
604.74
Storage Conditions
-20°C
Notes
For research use only.

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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