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Synonyms
5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol | BZ164573 | LMI070 (NVS-SM1) | BB178548 | AKOS030526592 | Q27285985 | 5-(1H-pyrazol-4-yl)-2-(6-((2,2,6,6-tetramethylpiperidin-4-yl)oxy)pyridazin-3-yl)phenol | Branaplam
Shipped In
Ice chest + Ice pads
Overview Information
Branaplam (LMI070) Branaplam (LMI070) is a highly selective, small-molecule splicing modulators of survival motor neuron‑2 (SMN2) with an EC50 of 0.02 μM.
Targets
SMN2 0.02 μM(EC50)
Specifications Synonyms
5-(1H-pyrazol-4-yl)-2-[6-(2, 2, 6, 6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol | BZ164573 | LMI070 (NVS-SM1) | BB178548 | AKOS030526592 | Q27285985 | 5-(1H-pyrazol-4-yl)-2-(6-((2, 2, 6, 6-tetramethylpiperidin-4-yl)oxy)pyridazin-3-yl)phenol | Branaplam
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
Branaplam (LMI070) is a highly selective, small-molecule splicing modulators of survival motor neuron‑2 (SMN2) with an EC50 of 0.02 μM.
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Properties ALogP 3.141 hba_count 4 HBD Count 3 Rotatable Bond 4
Names and Identifiers Pubchem Sid 504773390 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504773390 Canonical Smiles CC1(CC(CC(N1)(C)C)OC2=NN=C(C=C2)C3=C(C=C(C=C3)C4=CNN=C4)O)C IUPAC Name 5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol InChIKey STWTUEAWRAIWJG-UHFFFAOYSA-N INCHI 1S/C22H27N5O2/c1-21(2)10-16(11-22(3,4)27-21)29-20-8-7-18(25-26-20)17-6-5-14(9-19(17)28)15-12-23-24-13-15/h5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24) Isomeric SMILES CC1(CC(CC(N1)(C)C)OC2=NN=C(C=C2)C3=C(C=C(C=C3)C4=CNN=C4)O)C Molecular Weight 393.48 Reaxy-Rn 26638045 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26638045&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Diazines Subclass Pyridazines and derivatives Intermediate Tree Nodes Not available Direct Parent Phenylpyridazines Alternative Parents Phenylpyrazoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Piperidines Benzene and substituted derivatives Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenylpyridazine - Phenylpyrazole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Benzenoid - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenylpyridazines. These are organic compounds containing a pyridazine ring substituted by a phenyl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Solubility (25°C) In vitro DMSO: 3 mg/mL (7.62 mM); Water: Insoluble; Ethanol: Insoluble; Sensitivity Moisture sensitive DMSO(mg / mL) Max Solubility 3 DMSO(mM) Max Solubility 7.62427569380909 Water(mg / mL) Max Solubility ＜1 Molecular Weight 393.500 g/mol XLogP3 2.700 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 4 Exact Mass 393.216 Da Monoisotopic Mass 393.216 Da Topological Polar Surface Area 96.000 Ų Heavy Atom Count 29 Formal Charge 0 Complexity 541.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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