(1E,4E)-1,5-Bis(2-methoxyphenyl)penta-1,4-dien-3-one

HCID 830608

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Basic information

CAS: 39777-61-2
Standard SMILES: COc1ccccc1/C=C/C(=O)/C=C/c1ccccc1OC
InChIKey: RCZMPCUUTSDNAJ-PHEQNACWSA-N
Molecular formula: C19H18O3
Average molar mass: 294.3 g/mol
Monoisotopic mass: 294.12559443

Overview

structure in first source

Names & identifiers

Preferred name: (1E,4E)-1,5-Bis(2-methoxyphenyl)penta-1,4-dien-3-one
IUPAC: (1E,4E)-1,5-bis(2-methoxyphenyl)penta-1,4-dien-3-one
English name: (1E,4E)-1,5-Bis(2-Methoxyphenyl)penta-1,4-dien-3-one
Molecular formula: C19H18O3
Molecular weight: 294.35

Names & synonyms

(1E,4E)-1,5-Bis(2-methoxyphenyl)penta-1,4-dien-3-one39777-61-2RefChem:392698873-543-1TFEB activator 141973-42-6RPN77612CHEMBL4770531,5-bis(2-methoxyphenyl)-1,4-pentadien-3-oneNSC97906MFCD007191801,5-Bis-(2-methoxy-phenyl)-penta-1,4-dien-3-one

Show more names

Curcumin analog C1Curcumin analog compound C1TFEB activator 1, 10 mM in DMSOCurcumin analog C1(TFEB activator 1 )(1E,4E)-1,5-Bis(2-Methoxyphenyl)penta-1(1E,4E)-1,5-bis(2-methoxy)-1,4-dienyl-3-pentanone

Go-Y019orb1299261SCHEMBL2744044SCHEMBL29805195TFEB activator 1; ABM-7612PBA77761BDBM50285603NSC-97906

Database identifiers

CAS: 39777-61-2、41973-42-6
PubChem CID: 830608
ChEMBL: CHEMBL477053

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 363

Physicochemical properties

Melting point: 120 · 120-122 °C(Solv: ethanol (64-17-5); water (7732-18-5))
Boiling point: 467.2 · 467.2±40.0 °C(Predicted)
Density: 1.128 · 1.128±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: 125 mg/mL · DMSO: 125 mg/mL (424.68 mM)
form: A solid
color: Light yellow to yellow
InChI: InChI=1S/C19H18O3/c1-21-18-9-5-3-7-15(18)11-13-17(20)14-12-16-8-4-6-10-19(16)22-2/h3-14H,1-2H3/b13-11+,14-12+
InChIKey: RCZMPCUUTSDNAJ-PHEQNACWSA-N
SMILES: C(/C1=CC=CC=C1OC)=C\C(=O)/C=C/C1=CC=CC=C1OC
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319-H315-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H319-H315-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501

Chemistry & industry

Applications · 1 item

UsesTFEB activator 1 is an orally effective, mTOR-independent activator of TFEB. TFEB activator 1 significantly promotes the nuclear translocation of Flag-TFEB with an EC50 of 2167 nM. TFEB activator 1 enhances autophagy without inhibiting the mTOR pathway and has the potential for neurodegenerative diseases treatment[1].

Suppliers55 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]

云南苏理生物医药科技有限公司0871-68355600 18787766125 · [email protected]

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Compound notes

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