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Myt1-IN-1

CAT: 0013-GTR19187979-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187979-01Size:25 mg
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Description
Myt1-IN-1 is a potent and selective small molecule inhibitor of the Myt1 kinase, demonstrating sub-10 nM IC50 potency. Its anticancer properties are under investigation in cellular and biochemical assays, making it a valuable research tool for studying cell cycle regulation and oncology-related pathways.
CAS Number
2719749-02-5
Field of Research
Cell Biology
Smiles
Cc1ccc (O) c (C) c1-n1c (N) c (C (N) =O) c2cc (Cl) cnc12
Molecular Formula
C16H15ClN4O2
Molecular Weight
330.77
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Myt1-IN-1
CAS Number2719749-02-5
PubChem CID156869546
IUPAC Name2-amino-5-chloro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide
Molecular FormulaC16H15ClN4O2
Molecular Weight330.77
XLogP3
Topological Polar Surface Area107
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity465
SMILES
CC1=C(C(=C(C=C1)O)C)N2C(=C(C3=C2N=CC(=C3)Cl)C(=O)N)N
InChI
InChI=1S/C16H15ClN4O2/c1-7-3-4-11(22)8(2)13(7)21-14(18)12(15(19)23)10-5-9(17)6-20-16(10)21/h3-6,22H,18H2,1-2H3,(H2,19,23)
InChIKey
QDLIHXNMTGWVGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Myt1-IN-1
CAS: 2719749-02-5
CID: 156869546
Formula: C16H15ClN4O2
MW: 330.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.77
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass330.0883534
Monoisotopic Mass330.0883534
Topological Polar Surface Area107 Ų
Heavy Atom Count23
Formal Charge0
Complexity465
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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