ChemicalBook--->CAS DataBase List--->34576-94-8

34576-94-8

34576-94-8 Structure

34576-94-8 Structure
IdentificationBack Directory
[Name]

3,6-DICHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID
[CAS]

34576-94-8
[Synonyms]

BT2
3,6-dichloro-2-benzothiophenecarboxylic acid
3,6-dichlorobenzothiophene-2-carboxylic acid
3,6-Dichloro-1-benzothiophene-2-carboxylicaci
Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-
JR-6478, 3,6-Dichlorobenzo[b]thiophene-2-carboxylic acid, 97%
[Molecular Formula]

C9H4Cl2O2S
[MDL Number]

MFCD00781745
[MOL File]

34576-94-8.mol
[Molecular Weight]

247.1
Chemical PropertiesBack Directory
[Boiling point ]

426.4±40.0 °C(Predicted)
[density ]

1.653±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Soluble in DMSO (up to at least 20 mg/ml)
[form ]

solid
[pka]

2.09±0.30(Predicted)
[color ]

Off-white
[Stability:]

Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months.
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H302-H335
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard InformationBack Directory
[Description]

3,6-dichloro-benzo[b]thiophene-2-Carboxylic acid is an inhibitor of myeloid cell leukemia 1 (Mcl-1) with a Ki value of 59 μM for binding of FITC-Mcl-1-BH2 peptide binding to Mcl-1. It has been used as a building block in the synthesis of inhibitors of Mcl-1, the toll-like receptor 3/double-stranded RNA (TLR3/dsRNA) complex, and D-amino acid oxidase (DAO).
[storage]

Store at -20°C
[References]

1) Tso et al. (2014), Benzothiophene carboxylate derivatives as novel allosteric inhibitors of branched-chain α-ketoacid dehydrogenase kinase; J. Biol. Chem., 289 20583 2) Friberg et al. (2013), Discovery of potent myeloid cell leukemia (Mcl 1) inhibitors using fragment based methods and structure based design; J. Med. Chem. 56 15
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