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CCT251455

CAT: 0804-HY-12603-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-12603-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CCT251455 is a potent and selective mitotic kinase monopolar spindle 1 (MPS1) inhibitor with an IC50 of 3 nM.
CAS Number
1400284-80-1
UNSPSC
12352005
Target
Mps1
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Cytoskeleton
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/CCT251455.html
Purity
99.10
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(N1C(C2=CN(C)N=C2)=CC3=C1C=C(NC4=CC=C(C5=CN=CN5C)C=C4Cl)N=C3)OC(C)(C)C
Molecular Formula
C26H26ClN7O2
Molecular Weight
503.98
References & Citations
[1]Naud S, et al. Structure-based design of orally bioavailable 1H-pyrrolo[3,2-c]pyridine inhibitors of mitotic kinase monopolar spindle 1 (MPS1) . J Med Chem. 2013 Dec 27;56 (24) :10045-65.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Cct251455
CAS Number1400284-80-1
PubChem CID66547425
IUPAC Nametert-butyl 6-[2-chloro-4-(3-methylimidazol-4-yl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
Molecular FormulaC26H26ClN7O2
Molecular Weight504.0
XLogP4.4
Topological Polar Surface Area91.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity782
SMILES
CC(C)(C)OC(=O)N1C(=CC2=CN=C(C=C21)NC3=C(C=C(C=C3)C4=CN=CN4C)Cl)C5=CN(N=C5)C
InChI
InChI=1S/C26H26ClN7O2/c1-26(2,3)36-25(35)34-21(18-12-30-33(5)14-18)9-17-11-29-24(10-22(17)34)31-20-7-6-16(8-19(20)27)23-13-28-15-32(23)4/h6-15H,1-5H3,(H,29,31)
InChIKey
BXKNUXDLZJPPBO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cct251455
CAS: 1400284-80-1
CID: 66547425
Formula: C26H26ClN7O2
MW: 504.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.0
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass503.1836508
Monoisotopic Mass503.1836508
Topological Polar Surface Area91.8 Ų
Heavy Atom Count36
Formal Charge0
Complexity782
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

Related Products

CatalogName
HY-12681-01CCT251545

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CatalogName
OR1103292-01CCT251455
A21728-25CCT251455 25mg
A21728-1CCT251455 1mg
A21728-100CCT251455 100mg
A21728-50CCT251455 50mg
A21728-10CCT251455 10mg
A21728-5CCT251455 5mg

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