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Chemical structure of Branaplam hydrochloride

GC64383

Branaplam hydrochloride

Also known as 5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;hydrochloride

Branaplam (LMI070; NVS-SM1) hydrochloride is a highly potent, selective and orally active survival motor neuron-2 (SMN2) splicing modulator with an EC50 of 20 nM for SMN· Branaplam hydrochloride inhibits human-ether-a-go-go-related gene (hERG) with an IC50 of 6·3 μM· Branaplam hydrochloride elevates full-length SMN protein and extends survival in a severe spinal muscular atrophy (SMA) mouse model

ChemicalCAS1562338-39-9MW429.94FormulaC22H28ClN5O2
CAS number
1562338-39-9
Molecular weight
429.94
Formula
C22H28ClN5O2
Solubility
Water ： 200 mg/mL (465·18 mM; Need ultrasonic)
InChIKey
XJIMIVJABPKGIY-UHFFFAOYSA-N
Catalogue number
GC64383
Brand
GLPBIO
Computed properties PubChem CID 135565041 · TPSA 96 Ų · H-bond donors 4 · H-bond acceptors 6
TPSA
96 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
30

SMILES CC1(CC(CC(N1)(C)C)OC2=NN=C(C=C2)C3=C(C=C(C=C3)C4=CNN=C4)O)C.Cl

Computed descriptors from PubChem (CID 135565041), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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