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CHK1-IN-7

CAT: 0804-HY-103367Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-103367Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CHK1-IN-7 (Compound 10c) is a potent human CHK1 inhibitor. CHK1-IN-7 shows no single agent effect, potentiates the antiproliferative effect of Gemcitabine HY-17026 in both prostate and breast cancer cell lines. CHK1-IN-7 can be used for the research of cancer[1].
CAS Number
838823-31-7
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-7.html
Purity
98.0
Solubility
DMSO : 8 mg/mL (ultrasonic; warming)
Smiles
OC1=CC(O)=CC=C1C2=CC=C(C3=NNC(NC4=CC=C(CNC5CC5)C=C4)=C3)C=C2
Molecular Formula
C25H24N4O2
Molecular Weight
412.48
References & Citations
[1]Teng M, et al. Structure-based design and synthesis of (5-arylamino-2H-pyrazol-3-yl) -biphenyl-2',4'-diols as novel and potent human CHK1 inhibitors. J Med Chem. 2007 Nov 1;50 (22) :5253-6.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4'-[5-[[3-[(Cyclopropylamino)methyl]phenyl]amino]-1h-Pyrazol-3-Yl]-[1,1'-Biphenyl]-2,4-Diol

4-[4-[5-[4-[(cyclopropylamino)methyl]anilino]-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienylidene]-3-hydroxy-1-cyclohexa-2,5-dienone is an aromatic amine.

CAS Number838823-31-7
PubChem CID135451019
IUPAC Name4-[4-[3-[4-[(cyclopropylamino)methyl]anilino]-1H-pyrazol-5-yl]phenyl]benzene-1,3-diol
Molecular FormulaC25H24N4O2
Molecular Weight412.5
XLogP4.6
Topological Polar Surface Area93.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity558
SMILES
C1CC1NCC2=CC=C(C=C2)NC3=NNC(=C3)C4=CC=C(C=C4)C5=C(C=C(C=C5)O)O
InChI
InChI=1S/C25H24N4O2/c30-21-11-12-22(24(31)13-21)17-3-5-18(6-4-17)23-14-25(29-28-23)27-20-7-1-16(2-8-20)15-26-19-9-10-19/h1-8,11-14,19,26,30-31H,9-10,15H2,(H2,27,28,29)
InChIKey
GRGYFHNWICGOLR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-[5-[[3-[(Cyclopropylamino)methyl]phenyl]amino]-1h-Pyrazol-3-Yl]-[1,1'-Biphenyl]-2,4-Diol
CAS: 838823-31-7
CID: 135451019
Formula: C25H24N4O2
MW: 412.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.5
XLogP34.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass412.18992602
Monoisotopic Mass412.18992602
Topological Polar Surface Area93.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity558
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

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