1-[(3s)-3-[(4-amino-2,2-dioxo-1h-2lambda6,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-3-methylbutan-1-one (CED0265288)

Record Information

Version

1.0

Creation Date

2026-08-29 11:26:58 UTC

Update Date

2026-08-29 11:26:58 UTC

SynCED ID

CED0265288

Secondary Accession Numbers

CHEM310287

Identification

Common Name

1-[(3s)-3-[(4-amino-2,2-dioxo-1h-2lambda6,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-3-methylbutan-1-one

Class

Small Molecule

Description

1-[(3s)-3-[(4-amino-2,2-dioxo-1h-2lambda6,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-3-methylbutan-1-one is a chemical compound with the formula C18H26N4O4S. It has an average molecular weight of 394.50 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₈H₂₆N₄O₄S

Average Molecular Mass

Not Available

Monoisotopic Mass

394.167 g/mol

CAS Registry Number

1469426-64-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(C)CC(=O)N1CCCC(C1)COC2=CC=CC3=C2C(=NS(=O)(=O)N3)N

InChI Identifier

InChI=1S/C18H26N4O4S/c1-12(2)9-16(23)22-8-4-5-13(10-22)11-26-15-7-3-6-14-17(15)18(19)21-27(24,25)20-14/h3,6-7,12-13,20H,4-5,8-11H2,1-2H3,(H2,19,21)/t13-/m0/s1

InChI Key

WATMWKUPIIWAGO-ZDUSSCGKSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
3875.0 Log mg/kg [2200:6900]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000617	Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.	Personal care & cosmetics	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	m7GpppX diphosphatase	Q9DAR7	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.295 Applicability Domain 0.314 Statistical Significance 2.90e-04 Supporting Reference Compounds 3 E-value 2.25763
Click to view 3D structure	Interleukin-2 receptor subunit alpha	P01589	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.283 Low confidence Statistical Significance 0.0031 Supporting Reference Compounds 1 E-value 24.5225
Click to view 3D structure	Interleukin-5 receptor subunit alpha	P21183	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.276 Low confidence Statistical Significance 3.40e-04 Supporting Reference Compounds 1 E-value 2.64687
Click to view 3D structure	Retinoid isomerohydrolase	Q28175	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.256 Low confidence Statistical Significance 0.0017 Supporting Reference Compounds 1 E-value 13.3122
Click to view 3D structure	Tyrosine-protein kinase BTK	Q06187	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.272 Low confidence Statistical Significance 0.2976 Supporting Reference Compounds 798 E-value 2317.1
Click to view 3D structure	Metabotropic glutamate receptor 3	Q14832	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.289 Low confidence Statistical Significance 0.0088 Supporting Reference Compounds 40 E-value 68.7409
Click to view 3D structure	Alpha-1A adrenergic receptor	P35348	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.283 Low confidence Statistical Significance 0.1318 Supporting Reference Compounds 376 E-value 1025.97
Click to view 3D structure	Apelin receptor	P35414	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.286 Low confidence Statistical Significance 0.0247 Supporting Reference Compounds 51 E-value 192.521
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.272 Low confidence Statistical Significance 0.3579 Supporting Reference Compounds 961 E-value 2786.3
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.272 Low confidence Statistical Significance 0.3735 Supporting Reference Compounds 1022 E-value 2907.82
Click to view 3D structure	Protein kinase C theta type	Q04759	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.272 Low confidence Statistical Significance 0.1807 Supporting Reference Compounds 356 E-value 1406.66
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.268 Low confidence Statistical Significance 0.4091 Supporting Reference Compounds 1274 E-value 3184.5
Click to view 3D structure	Alpha-1A adrenergic receptor	P43140	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.283 Low confidence Statistical Significance 0.0846 Supporting Reference Compounds 208 E-value 658.838
Click to view 3D structure	Alpha-1B adrenergic receptor	P35368	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.283 Low confidence Statistical Significance 0.1185 Supporting Reference Compounds 298 E-value 922.903
Click to view 3D structure	Mast/stem cell growth factor receptor Kit	P10721	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.272 Low confidence Statistical Significance 0.3541 Supporting Reference Compounds 905 E-value 2756.41
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.283 Low confidence Statistical Significance 0.1925 Supporting Reference Compounds 541 E-value 1498.52
Click to view 3D structure	Non-receptor tyrosine-protein kinase TYK2	P29597	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.272 Low confidence Statistical Significance 0.3101 Supporting Reference Compounds 657 E-value 2414.26
Click to view 3D structure	Tyrosine-protein kinase JAK1	P23458	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.272 Low confidence Statistical Significance 0.1951 Supporting Reference Compounds 368 E-value 1518.92
Click to view 3D structure	Metabotropic glutamate receptor 5	P41594	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.289 Low confidence Statistical Significance 0.0262 Supporting Reference Compounds 89 E-value 204.354
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.272 Low confidence Statistical Significance 0.436 Supporting Reference Compounds 1301 E-value 3394.54
Click to view 3D structure	Protein kinase C alpha type	P17252	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.272 Low confidence Statistical Significance 0.1067 Supporting Reference Compounds 258 E-value 830.885
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.272 Low confidence Statistical Significance 0.3962 Supporting Reference Compounds 1029 E-value 3084.39
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.283 Low confidence Statistical Significance 0.1881 Supporting Reference Compounds 528 E-value 1464.73
Click to view 3D structure	Hepatocyte growth factor receptor	P08581	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.272 Low confidence Statistical Significance 0.4026 Supporting Reference Compounds 934 E-value 3133.9
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.272 Low confidence Statistical Significance 0.4594 Supporting Reference Compounds 1130 E-value 3576.7