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Rabusertib

CAT: 0931-T6084-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T6084-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
911222-45-2
Target
Chk, Autophagy, PDK
Related Pathways
Cell Cycle/Checkpoint, PI3K/Akt/mTOR signaling, Autophagy
Purity
0.9987
Bioactivity
Rabusertib (IC-83) is an inhibitor of the cell cycle checkpoint kinase 1 (chk1) with potential chemopotentiating activity. Rabusertib has been used in trials studying the treatment of Cancer, Solid Tumors, Advanced Cancer, Pancreatic Neoplasms, and Non-Small Cell Lung Cancer.
Smiles
Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1
Molecular Formula
C18H22BrN5O3
Molecular Weight
436.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Rabusertib

1-[5-bromo-4-methyl-2-[[(2S)-2-morpholinyl]methoxy]phenyl]-3-(5-methyl-2-pyrazinyl)urea is a member of ureas.

CAS Number911222-45-2
PubChem CID11955855
IUPAC Name1-[5-bromo-4-methyl-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
Molecular FormulaC18H22BrN5O3
Molecular Weight436.3
XLogP1.4
Topological Polar Surface Area97.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity486
SMILES
CC1=CC(=C(C=C1Br)NC(=O)NC2=NC=C(N=C2)C)OC[C@@H]3CNCCO3
InChI
InChI=1S/C18H22BrN5O3/c1-11-5-16(27-10-13-8-20-3-4-26-13)15(6-14(11)19)23-18(25)24-17-9-21-12(2)7-22-17/h5-7,9,13,20H,3-4,8,10H2,1-2H3,(H2,22,23,24,25)/t13-/m0/s1
InChIKey
SYYBDNPGDKKJDU-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Rabusertib
CAS: 911222-45-2
CID: 11955855
Formula: C18H22BrN5O3
MW: 436.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.3
XLogP31.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass435.09060
Monoisotopic Mass435.09060
Topological Polar Surface Area97.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity486
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-14720-01Rabusertib
C08731-5mgRabusertib (LY2603618)
A11036-50Rabusertib (LY2603618, IC-83) 50mg
A11036-10Rabusertib (LY2603618, IC-83) 10mg
A11036-200Rabusertib (LY2603618, IC-83) 200mg
A11036-5Rabusertib (LY2603618, IC-83) 5mg
A11036-100Rabusertib (LY2603618, IC-83) 100mg
A11036-25Rabusertib (LY2603618, IC-83) 25mg
AR-K01829-01N-Nitroso Rabusertib (N-Nitroso LY2603618)
A11036-10mM-DRabusertib (LY2603618, IC-83) (IC-83) 10mM * 1mL in DMSO

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