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Chemical structure of Myt1-IN-1

GC65541

Myt1-IN-1

Also known as 2-amino-5-chloro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide

Myt1-IN-1 is a potent Myt1 inhibitor with an IC50 of ＜10 nM· Myt1-IN-1 has anticancer effects (WO2021195782A1; compound 132)

ChemicalCAS2719749-02-5MW330.77FormulaC16H15ClN4O2
CAS number
2719749-02-5
Molecular weight
330.77
Formula
C16H15ClN4O2
Solubility
DMSO ： 20 mg/mL (60·46 mM; Need ultrasonic)
InChIKey
QDLIHXNMTGWVGE-UHFFFAOYSA-N
Catalogue number
GC65541
Brand
GLPBIO
Computed properties PubChem CID 156869546 · XLogP 3 · TPSA 107 Ų · H-bond donors 3
XLogP
3
TPSA
107 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23

SMILES CC1=C(C(=C(C=C1)O)C)N2C(=C(C3=C2N=CC(=C3)Cl)C(=O)N)N

Computed descriptors from PubChem (CID 156869546), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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