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Prexasertib dihydrochloride - 98%, high purity , CAS No.1234015-54-3

COA

Grade & Purity:

≥98%

Cas Number: 1234015-54-3
Molecular Weight: 438.31
PubChem CID: 46700755
PubChem SID: 504770720

In stock

Item Number

P413719

Grouped product items
SKU	Size	Availability	Price
P413719-2mg	2mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$51.90
P413719-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$107.90
P413719-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$345.90
P413719-50mg	50mg	3	$543.90

Chk1 Selective Inhibitors

View related series

Apoptosis (4276) Cell Cycle (2830) Cell Cycle/DNA Damage (2602) Checkpoint Kinase (Chk) (28)

Basic Description

Synonyms	LY2606368 diHCl \| LY2606368 Prexasertib HCl \| 9RFT476U2L \| LY2606368 2HCl \| EX-A758A \| 2-Pyrazinecarbonitrile, 5-[[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]-, hydrochloride (1:2) \| LY2606368 dihydrochloride \| LY-2606368 dihydrochloride
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	Prexasertib (LY2606368) is an ATP-competitive CHK1 inhibitor with a Ki value of 0.9 nmol/L. For CHK2 and RSK, its IC50 values are 8 nM and 9 nM respectively in cell-free assay.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Information Prexasertib (LY2606368) is an ATP-competitiveCHK1inhibitor with a Ki value of 0.9 nmol/L. For CHK2 and RSK, its IC50 values are 8 nM and 9 nM respectively in cell-free assay. Targets Chk1 (Cell-free assay); Chk2 (Cell-free assay); RSK (Cell-free assay) 0.9 nM(Ki); 8 nM; 9 nM In vitro In nonclinical studies, LY2606368 induced DNA damage as measured by replication catastrophe and increases in pH2A.X, a marker of double-stranded DNA breaks. Treatment of cells with LY2606368 results in the rapid appearance of TUNEL and pH2AX-positive double-stranded DNA breaks in the S-phase cell population. In a functional assay, LY2606368 potently abrogated the G2–M checkpoint activated by doxorubicin in p53-deficient HeLa cells with an EC50 of 9 nmol/L. LY2606368 was broadly antiproliferative with IC50 values typically <50 nmol/L in the most sensitive cell lines with a minority of cell lines showing considerable resistance with IC50\'s >1,000 nmol/L. LY2606368 requires CDC25A and CDK2 to cause DNA damage. In vivo LY2606368 inhibited tumor growth in cancer xenografts as monotherapy and in combination with other agents. In an orthotopic SKOV3 ovarian cancer model, LY2606368 was shown to inhibit the growth of primary tumors and significantly reduce the incidence of metastases and ascites accumulation. LY2606368 also demonstrated efficacy in an SW1990 orthotopic pancreatic cancer model resulting in a 92% inhibition of primary tumor growth and the elimination of metastases to the lymphnode, spleen, and intestine. Cell Research(from reference) Cell lines：HeLa cells Concentrations：33 or 100 nmol/L Incubation Time：12 h

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	Phenoxy compounds Methoxybenzenes Anisoles Aminopyrazines Alkyl aryl ethers Imidolactams Heteroaromatic compounds Secondary amines Nitriles Azacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpyrazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyrazine - Monocyclic benzene moiety - Pyrazine - Benzenoid - Imidolactam - Heteroaromatic compound - Secondary amine - Nitrile - Carbonitrile - Ether - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Primary aliphatic amine - Hydrochloride - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504770720
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770720
IUPAC Name	5-[[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;dihydrochloride
INCHI	InChI=1S/C18H19N7O2.2ClH/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);2*1H
InChIKey	KMEIPKXRCJTZBZ-UHFFFAOYSA-N
Smiles	COC1=C(C(=CC=C1)OCCCN)C2=CC(=NN2)NC3=NC=C(N=C3)C#N.Cl.Cl
Isomeric SMILES	COC1=C(C(=CC=C1)OCCCN)C2=CC(=NN2)NC3=NC=C(N=C3)C#N.Cl.Cl
PubChem CID	46700755
Molecular Weight	438.31

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
I2205356	Certificate of Analysis	Jun 20, 2024	P413719

Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 17 mg/mL (38.78 mM); Water: Insoluble; Ethanol: Insoluble;
Molecular Weight	438.300 g/mol
XLogP3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	437.113 Da
Monoisotopic Mass	437.113 Da
Topological Polar Surface Area	135.000 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	499.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	3

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