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Chemical structure of RIPK1-IN-7

GC37536

RIPK1-IN-7

Also known as 1-[5-(4-amino-7-ethylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone

RIPK1-IN-7 is a potent and selective RIPK1 inhibitor with a Kd of 4 nM and an enzymatic IC50 of 11 nM· RIPK1-IN-7 exhibits excellent antimetastasis activity in the experimental B16 melanoma lung metastasis model

ChemicalCAS2300982-44-7MW481.47FormulaC25H22F3N5O2
CAS number
2300982-44-7
Molecular weight
481.47
Formula
C25H22F3N5O2
Solubility
DMSO： 62·5 mg/mL (129·81 mM); Water： ＜ 0·1 mg/mL (insoluble)
InChIKey
APPXQUDJLJXULP-UHFFFAOYSA-N
Catalogue number
GC37536
Brand
GLPBIO
Computed properties PubChem CID 137321158 · XLogP 4.4 · TPSA 86.3 Ų · H-bond donors 1
XLogP
4.4
TPSA
86.3 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
35

SMILES CCN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)OC(F)(F)F

Computed descriptors from PubChem (CID 137321158), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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