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Chemical structure of PI4K-IN-1

GC72785

PI4K-IN-1

Also known as 4-[[[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-1,3-benzothiazol-2-yl]amino]methyl]cyclohexane-1-carboxylic acid

PI4K-IN-1 (compound 44) is a potent PI4KIII inhibitor, with pIC50 values of 9·0 and 6·6 for PI4KIIIα and PI4KIIIβ, respectively

ChemicalCAS1800017-49-5MW437.55FormulaC24H27N3O3S
CAS number
1800017-49-5
Molecular weight
437.55
Formula
C24H27N3O3S
Solubility
DMSO ： 125 mg/mL (285·68 mM; Need ultrasonic)
InChIKey
LCUPEZBPGVQFLN-UHFFFAOYSA-N
Catalogue number
GC72785
Brand
GLPBIO
Computed properties PubChem CID 122184544 · XLogP 4.1 · TPSA 111 Ų · H-bond donors 2
XLogP
4.1
TPSA
111 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
31

SMILES C1CC(CCC1CNC2=NC3=C(S2)C=C(C=C3)C4=CC(=O)N(C=C4)CC5CC5)C(=O)O

Computed descriptors from PubChem (CID 122184544), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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