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CCT245737

CAT: 0931-T7080-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T7080-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1489389-18-5
Target
Chk
Related Pathways
Cell Cycle/Checkpoint
Purity
0.9993
Bioactivity
CCT245737 is an orally active, selective Chk1 inhibitor with an IC50 of 1.3 nM, and is >1,000-fold selective over CHK2 and CDK1.
Smiles
FC(F)(F)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1
Molecular Formula
C16H16F3N7O
Molecular Weight
379.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sra-737

Chk1 Inhibitor SRA737 is an orally bioavailable inhibitor of checkpoint kinase 1 (chk1), with potential antineoplastic and chemosensitization activities. Upon oral administration, chk1 inhibitor SRA737 selectively binds to chk1, thereby preventing chk1 activity and abrogating the repair of damaged DNA. This may lead to an accumulation of damaged DNA, inhibition of cell cycle arrest, and induction of apoptosis. SRA737 may potentiate the cytotoxicity of DNA-damaging agents and reverse tumor cell resistance to chemotherapeutic agents. Chk1, an adenosine triphosphate (ATP)-dependent serine/threonine kinase overexpressed in a variety of cancer cell types, mediates cell cycle checkpoint control and is essential for DNA repair; it plays a key role in resistance to chemotherapeutic agents by repairing DNA damage.

CAS Number1489389-18-5
PubChem CID72165232
IUPAC Name5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile
Molecular FormulaC16H16F3N7O
Molecular Weight379.34
XLogP1.1
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity526
SMILES
C1CO[C@H](CN1)CNC2=CC(=NC=C2C(F)(F)F)NC3=NC=C(N=C3)C#N
InChI
InChI=1S/C16H16F3N7O/c17-16(18,19)12-8-25-14(26-15-9-22-10(4-20)5-24-15)3-13(12)23-7-11-6-21-1-2-27-11/h3,5,8-9,11,21H,1-2,6-7H2,(H2,23,24,25,26)/t11-/m1/s1
InChIKey
YBYYWUUUGCNAHQ-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of Sra-737
CAS: 1489389-18-5
CID: 72165232
Formula: C16H16F3N7O
MW: 379.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.34
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass379.13684265
Monoisotopic Mass379.13684265
Topological Polar Surface Area108 Ų
Heavy Atom Count27
Formal Charge0
Complexity526
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

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