Products for Research Use Only

Prexasertib

CAT: 0013-GTR19164218-07Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19164218-07Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
A potent, selective, ATP-competitive inhibitor of CHK1 with Ki of 0.9 nM; potently abrogates the G2-M checkpoint activated by doxorubicin in p53-deficient HeLa cells with EC50 of 9 nM; causes replication catastrophe in vitro and in vivo; shows significant tumor growth inhibition in xenograft tumor models.Lung Cancer Phase 2 Clinical (In Vitro) :Prexasertib (LY2606368) inhibits MELK (IC50=38 nM), SIK (IC50=42 nM), BRSK2 (IC50=48 nM), ARK5 (IC50=64 nM) . LY2606368 requires CDC25A and CDK2 to cause DNA damage.Prexasertib (33, 100 nM; for 7 hours) results in DNA damage during S-phase in HeLa cells.Prexasertib (8-250 nM; pre-treated for 15 minutes) inhibits CHK1 autophosphorylation (S296) and CHK2 autophosphorylation (S516) in HT-29 cells.Prexasertib (4 nM; 24 hours) results in a large shift in cell-cycle populations from G1 and G2-M to S-phase with an accompanied induction of H2AX phosphorylation in U-2 OS cells.Prexasertib (33 nM; for 12 hours) causes chromosomal fragmentation in HeLa cells. Prexasertib (100 nM; 0.5 to 9 hours) induces replication stress and depletes the pool of available RPA2 for binding to DNA. (In Vivo) :Prexasertib (LY2606368; 1-10 mg/kg; SC; twice daily for 3 days, rest 4 days; for three cycles) causes growth inhibition in tumor xenografts.Prexasertib (15 mg/kg; SC) causes CHK1 inhibition in the blood and the phosphorylation of both H2AX (S139) and RPA2 (S4/S8) .
CAS Number
1234015-52-1
Product Name Alternative
LY-2606368 | LY 2606368 | LY2606368
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 60 mg/mL
Smiles
COC1=C (C (=CC=C1) OCCCN) C2=CC (=NN2) NC3=NC=C (N=C3) C#N
Molecular Formula
C18H19N7O2
Molecular Weight
365.3892
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
2-Pyrazinecarbonitrile, 5-[[5-[2- (3-aminopropoxy) -6-methoxyphenyl]-1H-pyrazol-3-yl]amino]-

Chemical Information

Prexasertib

Prexasertib has been used in trials studying the treatment and basic science of mCRPC, Leukemia, Neoplasm, breast cancer, and Ovarian Cancer, among others.

CAS Number1234015-52-1
PubChem CID46700756
IUPAC Name5-[[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
Molecular FormulaC18H19N7O2
Molecular Weight365.4
XLogP1.4
Topological Polar Surface Area135
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity499
SMILES
COC1=C(C(=CC=C1)OCCCN)C2=CC(=NN2)NC3=NC=C(N=C3)C#N
InChI
InChI=1S/C18H19N7O2/c1-26-14-4-2-5-15(27-7-3-6-19)18(14)13-8-16(25-24-13)23-17-11-21-12(9-20)10-22-17/h2,4-5,8,10-11H,3,6-7,19H2,1H3,(H2,22,23,24,25)
InChIKey
DOTGPNHGTYJDEP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Prexasertib
CAS: 1234015-52-1
CID: 46700756
Formula: C18H19N7O2
MW: 365.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight365.4
XLogP31.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass365.16002287
Monoisotopic Mass365.16002287
Topological Polar Surface Area135 Ų
Heavy Atom Count27
Formal Charge0
Complexity499
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