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Prexasertib

CAT: 0013-GTR19170333-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170333-02Size:2 mg
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Description
Prexasertib is a potent and selective CHK1 inhibitor (Ki 0.9 nM) that induces DNA damage and apoptosis. It has demonstrated antitumor activity in both in vitro cell-based assays and in vivo xenograft models, supporting its investigation in oncology research, particularly for cancers with replication stress.
CAS Number
1234015-52-1
Product Name Alternative
Checkpoint Kinase (Chk), Chk2, Chk1, CDC25A, CDK2, DNA, double-stranded, BRSK2, Apoptosis, autophosphorylation, ARK5, ATP-competitive, MELK, Inhibitor, HeLa, HT-29, H2AX, LY 2606368, LY2606368, LY-2606368, inhibit, Prexasertib, SIK, S516, S296, RSK1, replication
Field of Research
Cell Biology
Purity
97.28% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.74 mM) ; DMSO:22 mg/mL (60.21 mM)
Smiles
COc1cccc (OCCCN) c1-c1cc (Nc2cnc (cn2) C#N) n[nH]1
Molecular Formula
C18H19N7O2
Molecular Weight
365.39
Storage Conditions
-20°C
Notes
For research use only.

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...
View on PubChemRaw 3D data
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

Alternative Products

CatalogName
T4310-01Prexasertib
B2067-5Prexasertib mesylate
MBS3600929-01Prexasertib dihydrochloride
S6385-5mgPrexasertib (LY2606368)
HY-18174CPrexasertib (mesylate)
HY-18174SPrexasertib-d4
HY-18174HPrexasertib (lactate)
206989Prexasertib HCl
T88364-01Prexasertib lactate
T38620Prexasertib dimesylate

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