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AS-0141

CAT: 0931-T10728-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T10728-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1402057-88-8
Target
CDK
Related Pathways
Cell Cycle/Checkpoint
Purity
>99.99%
Bioactivity
AS-0141 (Cdc7-IN-6) is a potent Cdc7 kinase inhibitor (IC50=4 nM) with anti-tumor activity.
Smiles
N(C1=C(C(OCC)=O)C(=O)C(=CC=2C=3C(NC2)=NC=CC3)O1)N4CCN(CC(F)(F)F)CC4
Molecular Formula
C21H22F3N5O4
Molecular Weight
465.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Monzosertib

Monzosertib is a small molecule drug. The usage of the INN stem '-sertib' in the name indicates that Monzosertib is a serine/threonine kinase inhibitor. Monzosertib has a monoisotopic molecular weight of 465.16 Da.

CAS Number1402057-88-8
PubChem CID136618371
IUPAC Nameethyl 4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]amino]furan-3-carboxylate
Molecular FormulaC21H22F3N5O4
Molecular Weight465.4
XLogP3.4
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity757
SMILES
CCOC(=O)C1=C(OC(=C1O)/C=C/2\C=NC3=C2C=CC=N3)NN4CCN(CC4)CC(F)(F)F
InChI
InChI=1S/C21H22F3N5O4/c1-2-32-20(31)16-17(30)15(10-13-11-26-18-14(13)4-3-5-25-18)33-19(16)27-29-8-6-28(7-9-29)12-21(22,23)24/h3-5,10-11,27,30H,2,6-9,12H2,1H3/b13-10+
InChIKey
HFBNZZVVRMLDJO-JLHYYAGUSA-N
Chemical Structure
2D Structure
2D structure of Monzosertib
CAS: 1402057-88-8
CID: 136618371
Formula: C21H22F3N5O4
MW: 465.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.4
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass465.16238869
Monoisotopic Mass465.16238869
Topological Polar Surface Area103 Ų
Heavy Atom Count33
Formal Charge0
Complexity757
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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