ZM 336372

HCID 5730

Notes Reactions

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Basic information

CAS: 208260-29-1
Standard SMILES: Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(O)cc1
InChIKey: PYEFPDQFAZNXLI-UHFFFAOYSA-N
Molecular formula: C23H23N3O3
Average molar mass: 389.4 g/mol
Monoisotopic mass: 389.1739416

Overview

3-(dimethylamino)-N-[3-[[(4-hydroxyphenyl)-oxomethyl]amino]-4-methylphenyl]benzamide is a member of benzamides.

Names & identifiers

Preferred name: ZM 336372
IUPAC: 3-(dimethylamino)-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]benzamide
English name: ZM 336372
Molecular formula: C23H23N3O3
Molecular weight: 389.45

Names & synonyms

208260-29-1ZM 336372ZM336372ZM-336372DTXSID702744783-dimethylamino-N-(3-((4-hydroxybenzoyl)amino)-4-methylphenyl)benzamide3-dimethylamino-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]benzamideRefChem:495046DTXCID402259573-(dimethylamino)-N-(3-(4-hydroxybenzamido)-4-methylphenyl)benzamideN-[5-(3-Dimethylaminobenzamido)-2-methylphenyl]-4-hydroxybenzamideBenzamide, 3-(dimethylamino)-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]-

Show more names

CS-44Zinc00581684ZM 336372, >=98%ZM 336372 ，S2720Probucol (DH-581)ZM 336372 USP/EP/BPZM 336372, 10 mM in DMSOZINC00581684

3-(dimethylamino)-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]benzamideBio1_001346MFCD02683971BiomolKI2_000059KBioSS_000580CHEMBL1865263-(dimethylamino)-N-[3-(4-hydroxybenzamido)-4-methylphenyl]benzamideBio1_000857

Database identifiers

CAS: 208260-29-1
PubChem CID: 5730
DTXSID: DTXSID70274478
ChEMBL: CHEMBL186526
ChEBI: CHEBI:95033
EC Number: 106-467-8
Nikkaji: J1.735.950I

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 81.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 29
Formal charge: 0
Complexity: 560

Experimental & physicochemical properties

LogP2.65

Physicochemical properties

Boiling point: 484.4 · 484.4±45.0 °C(Predicted)
Density: 1.298 · 1.298
storage temp.: 2 · Keep in dark place,Sealed in dry,2-8°C
solubility: 5 mg/mL · DMSO: >5mg/mL (warmed)
pka: 8.31 · 8.31±0.15(Predicted)
form: powder
color: white to beige
Sensitive: Light Sensitive
Stability: 2 years · Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 1 month.
InChI: 1S/C23H23N3O3/c1-15-7-10-18(24-23(29)17-5-4-6-19(13-17)26(2)3)14-21(15)25-22(28)16-8-11-20(27)12-9-16/h4-14,27H,1-3H3,(H,24,29)(H,25,28)
InChIKey: PYEFPDQFAZNXLI-UHFFFAOYSA-N
SMILES: N(C)(C)c1cc(ccc1)C(=O)Nc2cc(c(cc2)C)NC(=O)c3ccc(cc3)O
UNSPSC Code: 12352117 · 12352117
NACRES: 77 · NA.77
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H413
Precautionary statements: 261 · P261-P272-P273-P280-P302+P352-P333+P313
WGK Germany: 3 · 3
HS Code: 2924297099 · 2924297099
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Skin · Aquatic Chronic 4Skin Sens. 1B

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

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, 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.

Hazard information

Hazard Classes and CategoriesSkin Sens. 1B (100%)

Safety data

wgk: 3
hs_code: 2924297099
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H317-H413
Hazard Classifications: Aquatic Chronic 4Skin Sens. 1B
Precautionary statements: P261-P272-P273-P280-P302+P352-P333+P313

Chemistry & industry

Applications · 2 items

DescriptionThe Ras/Raf-1 signalling pathway is a well-characterized system that links receptor tyrosine kinase (RTK) activation with changes in gene expression and cell behavior. Raf-1 is a serine/threonine protein kinase that phosphorylates and activates MAPK-kinase (MEK) in response to activation by Ras. ZM 336372 is a potent ATP-competitive inhibitor of Raf-1 in vitro (IC50 = 70 nM) with the paradoxical effect of inducing >100-fold activation of Raf-1 in whole cells. Activation of the Raf-1 signalling pathway using ZM 336372 in human carcinoid tumor cells results in induction of cell cycle inhibitors and suppression of cellular proliferation.

UsesIt is small molecule tyrosine kinase modulator. ZM336372 induces apoptosis associated with phosphorylation of GSK-3β in pancreatic adenocarcinoma cell lines.

Suppliers97 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]

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]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Additional notes

DefinitionChEBI: 3-(dimethylamino)-N-[3-[[(4-hydroxyphenyl)-oxomethyl]amino]-4-methylphenyl]benzamide is a member of benzamides.

Related reactions

4 records

New reaction record

HRID 810597As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 836964As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 967863As reactantuspto-grants-2005_10

HRID 1369497As reactantuspto-grants-2003_06

Compound notes

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