(E/Z)-Bci

HCID 5475586

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Basic information

CAS: 15982-84-0
Standard SMILES: O=C1/C(=C\c2ccccc2)C(NC2CCCCC2)c2ccccc21
InChIKey: XJDKPLZUXCIMIS-HKWRFOASSA-N
Molecular formula: C22H23NO
Average molar mass: 317.4 g/mol
Monoisotopic mass: 317.17796436

Names & identifiers

Preferred name: (E/Z)-Bci
IUPAC: (2Z)-2-benzylidene-3-(cyclohexylamino)-3H-inden-1-one
English name: Dual Specificity Protein Phosphatase 1/6 Inhibitor
Molecular formula: C22H23NO
Molecular weight: 317.42

Names & synonyms

(E/Z)-BCI15982-84-0(2Z)-2-benzylidene-3-(cyclohexylamino)-3H-inden-1-oneNSC 150117(E)-BCIMFCD20232928orb1309724SCHEMBL3705322CHEMBL2010464SCHEMBL41954500(E/Z)-BCI(DUSP6 inhibitor)?EX-A3815

Show more names

(E/Z)-BCI (NSC150117)(E/Z)-BCI, 10 mM in DMSO(E/Z)-BCI(DUSP6 inhibitor)Dual Specificity Protein Phosphatase 1/6 InhibitorDual Specificity Protein Phosphatase 1/6 Inhibitor, BCI2-Benzylidene-3-(cyclohexylamino)-2,3-dihydro-1H-inden-1-one1H-Inden-1-one, 3-(cyclohexylamino)-2,3-dihydro-2-(phenylmethylene)-NSC-150117,ROS,death,LPS,(E/Z)-BCI,gastric cancer,anti-inflammatory,NF-κB,inhibit,Inhibitor,(E/Z) BCI,Nrf2,(E/Z)BCI,Apoptosis,ERK,Phosphatase,DUSP6,NSC150117

AKOS021726966AKOS037648917BS-16023DA-48750HY-126390CS-0103275(2Z)-2-benzylidene-3-(cyclohexylamino)indan-1-oneBRD-A11007541-003-01-9

Database identifiers

CAS: 15982-84-0
PubChem CID: 5475586
ChEMBL: CHEMBL2010464
EC Number: 683-421-8

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 470

Physicochemical properties

Boiling point: 484.6 · 484.6±45.0 °C(Predicted)
Density: 1.15 · 1.15±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
solubility: 63 mg/mL · DMSO: 63 mg/mL (198.48 mM);Ethanol: 20 mg/mL (63.01 mM)
form: solid
pka: 7.74 · 7.74±0.20(Predicted)
color: yellow
Water Solubility: Water: Insoluble
InChI: 1S/C22H23NO/c24-22-19-14-8-7-13-18(19)21(23-17-11-5-2-6-12-17)20(22)15-16-9-3-1-4-10-16/h1,3-4,7-10,13-15,17,21,23H,2,5-6,11-12H2/b20-15-
InChIKey: XJDKPLZUXCIMIS-HKWRFOASSA-N
SMILES: N(C4CCCCC4)C1c2c(cccc2)C(=O)\C\1=C/c3ccccc3
UNSPSC Code: 12352204 · 12352204
NACRES: 32 · NA.32
Symbol(GHS): 7 · GHS07
Signal word: Warning

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

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAquatic Acute 1 (100%)

Safety data

wgk: WGK 3
hs_code: 2922390090
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319-H412
Precautionary statements: P273-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses(E/Z)-BCI (NSC 150117) is a dual-specificity phosphatase 6 (DUSP6) inhibitor with anti-inflammatory activities. (E/Z)-BCI attenuates LPS-induced inflammatory mediators and ROS production in macrophage cells via activating the Nrf2 signaling axis and inhibiting the NF-κB pathway[1].

Suppliers30 total

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

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

湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]

上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]

欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]

Related reactions

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Compound notes

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