Products for Research Use Only
RegisterLogin

Chk1-IN-5

CAT: 0804-HY-131446-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-131446-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Chk1-IN-5 is a potent checkpoint kinase 1 (Chk1) inhibitor. Chk1-IN-5 inhibits Chk1 phosphorylation and inhibits tumor growth in colon cancer xenograft model[1].
CAS Number
2120398-39-0
UNSPSC
12352005
Target
Checkpoint Kinase (Chk)
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/chk1-in-5.html
Purity
98.84
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
N#CC1=NC=C(NC2=NNC(C3=C(OC)C=C(F)C=C3OCCCN)=C2)N=C1
Molecular Formula
C18H18FN7O2
Molecular Weight
383.38
References & Citations
[1]Xiong Cai, et al. 3,5-disubstituted pyrazoles useful as checkpoint kinase 1 (chk1) inhibitors, and their preparations and applications. WO2017132928A1.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Chk1

Chemical Information

Chk1-IN-5
CAS Number2120398-39-0
PubChem CID130299459
IUPAC Name5-[[5-[2-(3-aminopropoxy)-4-fluoro-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
Molecular FormulaC18H18FN7O2
Molecular Weight383.4
XLogP1.5
Topological Polar Surface Area135
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity533
SMILES
COC1=C(C(=CC(=C1)F)OCCCN)C2=CC(=NN2)NC3=NC=C(N=C3)C#N
InChI
InChI=1S/C18H18FN7O2/c1-27-14-5-11(19)6-15(28-4-2-3-20)18(14)13-7-16(26-25-13)24-17-10-22-12(8-21)9-23-17/h5-7,9-10H,2-4,20H2,1H3,(H2,23,24,25,26)
InChIKey
CAAWSPMLCMFRMK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chk1-IN-5
CAS: 2120398-39-0
CID: 130299459
Formula: C18H18FN7O2
MW: 383.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.4
XLogP31.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass383.15060100
Monoisotopic Mass383.15060100
Topological Polar Surface Area135 Ų
Heavy Atom Count28
Formal Charge0
Complexity533
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

Related Products

CatalogName
HY-177551CHK1-IN-14
HY-128766CHK1-IN-4
HY-103367CHK1-IN-7
HY-177027CHK1-IN-13
HY-161383CHK1-IN-9
HY-111369CHK1-IN-2
HY-171785CHK1-IN-12
HY-171759CHK1-IN-11
HY-155798CHK1-IN-8
HY-139901-01Chk1-IN-6

Alternative Products

CatalogName
MBS5798068Chk1-IN-5
60B253CHK1
GTR17835034CHK1 Rabbit Polyclonal Antibody (Cy5.5)
bs-1681R-Cy5.5CHK1 Polyclonal Antibody, Cy5.5 Conjugated
10R-1796CHK1 antibody
ANTY021113Chk1 (Ab80)
T40091Chk1-IN-6
T212334-01CHK1-IN-8

Popular Products