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Myt1-IN-1

CAT: 1568-C04949-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:1568-C04949-1mgSize:1 mg
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CAS Number
2719749-02-5
Synonyms
KRASG12C IN-13
Additionnal Information
Myt1-IN-1 is a potent and selective inhibitor of membrane-associated tyrosine and threonine-specific cdc2-inhibitory kinase (Myt1) (Gene: PKMYT1) with an IC50 of <10 nM. It exhibits anticancer activity and can be used in research on cancers with CCNE1 amplification or FBXW7 mutations that rely on Myt1 activity.

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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