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Chemical structure of CARM1-IN-1 hydrochloride

GC34424

CARM1-IN-1 hydrochloride

Also known as (3E,5E)-1-benzyl-3,5-bis[(3-bromo-4-hydroxyphenyl)methylidene]piperidin-4-one;hydrochloride

CARM1-IN-1 hydrochloride is a potent and specific CARM1(Coactivator-associated arginine methyltransferase 1) inhibitor with IC50 of 8·6 uM; shows very low activity against PRMT1 and SET7(IC50 > 600 uM)

ChemicalCAS2070018-31-2MW591.72FormulaC26H22Br2ClNO3
CAS number
2070018-31-2
Molecular weight
591.72
Formula
C26H22Br2ClNO3
Solubility
DMSO ： ≥ 38 mg/mL (64·22 mM)
InChIKey
QLPNYHLFFVKOAN-CUBOLJEZSA-N
Catalogue number
GC34424
Brand
GLPBIO
Computed properties PubChem CID 92044367 · TPSA 60.8 Ų · H-bond donors 3 · H-bond acceptors 4
TPSA
60.8 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
33

SMILES C\1N(C/C(=C\C2=CC(=C(C=C2)O)Br)/C(=O)/C1=C/C3=CC(=C(C=C3)O)Br)CC4=CC=CC=C4.Cl

Computed descriptors from PubChem (CID 92044367), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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