Flt-3 inhibitor
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Basic information
- CAS
301305-73-7- Standard SMILES
COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC- InChIKey
FSPQCTGGIANIJZ-UHFFFAOYSA-N- Molecular formula
- C18H20N2O4S
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.1143783
Overview
2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is a dimethoxybenzene.
Names & identifiers
- Preferred name
- Flt-3 inhibitor
- IUPAC
- 2-[(3,4-dimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- English name
- TCS 359
- Molecular formula
- C18H20N2O4S
- Molecular weight
- 360.43
Names & synonyms
TCS 359301305-73-7Flt-3 inhibitorTCS-359DTXSID603599652-[(3,4-dimethoxybenzene)amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide2-((3,4-dimethoxybenzene)amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideRefChem:140787DTXCID503110172-(3,4-dimethoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide2-[(3,4-dimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideMFCD00617269
Show more names
CS-1153TCS 359 USP/EP/BPTCS 359, 10 mM in DMSOFlt-3 Inhibitor TCS359 TCS-3592-(3,4-DIMETHOXY-BENZOYLAMINO)-4,5,6,7-TFlt-3 Inhibitor - CAS 301305-73-7 - CalbiochemTCS 359, FLT3 receptor tyrosine kinase inhibitor
CHEMBL2108332-(3,4-Dimethoxy-benzoylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid amide2-(3,4-dimethoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideTCS359Oprea1_063849Oprea1_870745GTPL5970orb1223160
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 503
Physicochemical properties
- Boiling point
- 454.4 · 454.4±45.0 °C(Predicted)
- Density
- 1.328 · 1.328±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
- solubility
- 2 O: · H2O: <2mg/mL
- pka
- 12.43 · 12.43±0.20(Predicted)
- form
- White solid
- color
- white to off-white
- Water Solubility
- 2 O: · H2O: DMSO: ~8mg/mL
- Sensitive
- Light Sensitive
- InChI
- 1S/C18H20N2O4S/c1-23-12-8-7-10(9-13(12)24-2)17(22)20-18-15(16(19)21)11-5-3-4-6-14(11)25-18/h7-9H,3-6H2,1-2H3,(H2,19,21)(H,20,22)
- InChIKey
- FSPQCTGGIANIJZ-UHFFFAOYSA-N
- SMILES
- COc1ccc(cc1OC)C(=O)Nc2sc3CCCCc3c2C(N)=O
- CAS DataBase Reference
- 301305 · 301305-73-7
- UNSPSC Code
- 12352106 · 12352106
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2934.99.4400
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P302+P352-P305+P351+P338-P321-P405-P501
Chemistry & industry
Applications
UsesFms-like tyrosine kinase (FLT3) is a cell-surface receptor with important roles in stem cell development, hematopoiesis, and cancer. FLT3 Inhibitor is a cell-permeable, ATP-competitive inhibitor of FLT3 (IC50 = 27 nM) that blocks the proliferation of myelomonocytic leukemia MV4-11 cells (IC50 = 0.41 μM). It is selective for FLT3 over a panel of 22 other kinases. FLT3 Inhibitor synergistically increases the cytotoxicity of an AF4-mimetic peptide against MV4-11 cells.
UsesTCS 359 is a potent inhibitor of FLT3 used in the treatment of leukemia.
Additional notes
DefinitionChEBI: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is a dimethoxybenzene.
Related reactions
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Compound notes
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