Basic information
- CAS
439858-28-3- Standard SMILES
CNc1ccc(-c2nc3ccccc3s2)cc1- InChIKey
FHJRKGXJBXPBGA-UHFFFAOYSA-N- Molecular formula
- C14H12N2S
- Average molar mass
- 240.33 g/mol
- Monoisotopic mass
- 240.07211956
Overview
binds amyloid-beta fibrils; structure in first source
Names & identifiers
- Preferred name
- 2-(4'-Methylaminophenyl)benzothiazole
- IUPAC
- 4-(1,3-benzothiazol-2-yl)-N-methylaniline
- English name
- BTA-1
- Molecular formula
- C14H12N2S
- Molecular weight
- 240.33
Names & synonyms
2-(4'-methylaminophenyl)benzothiazoleRefChem:909254439858-28-3BTA-14-(1,3-benzothiazol-2-yl)-N-methylaniline4-(benzo[d]thiazol-2-yl)-N-methylanilineCHEMBL93334MFCD04974146SCHEMBL493341DTXSID90431602BDBM50109052AKOS003383867
Show more names
(4-Benzothiazol-2-yl-phenyl)-methyl-amineBenzenamine, 4-(2-benzothiazolyl)-N-methyl-BTA-1,2-(4′-Methylaminophenyl)benzothiazole
HY-W2780212-(4-methylaminophenyl)benzothiazoleorb1689681SCHEMBL29523038PSA85828BTA-1, >=98% (HPLBTA-1, >=98% (HPLC), solidNCGC00165760-01
Database identifiers
- CAS
439858-28-3- PubChem CID
- 9837643
- DTXSID
DTXSID90431602- ChEMBL
CHEMBL93334- Nikkaji
- J1.679.284E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Experimental & physicochemical properties
LogP2.7
Physicochemical properties
- Boiling point
- 415.5 · 415.5±47.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 10 mg/mL · DMSO: soluble ~10mg/mL
- pka
- 2.58 · 2.58±0.12(Predicted)
- form
- solid
- color
- yellow
- InChI
- 1S/C14H12N2S/c1-15-11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)17-14/h2-9,15H,1H3
- InChIKey
- FHJRKGXJBXPBGA-UHFFFAOYSA-N
- SMILES
- CNc1ccc(cc1)-c2nc3ccccc3s2
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2933998090
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
DescriptionBTA-1 is an uncharged derivative of thioflavin-T. It has high affinity for Aβ fibrils and shows very good brain entry and clearance.
UsesBTA-1 is an uncharged derivative of thioflavin-T. BTA-1 has a high affinity for Aβ fibrils and shows very good brain penetration and clearance[1].
Suppliers16 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
苏州申拓医药科技有限公司13911244683 18151949202 · [email protected]
Aladdin Scientific[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
西安百萤生物科技有限公司029-029-68064558 18502920169 · [email protected]
西安强化生物科技有限公司15339237155 15339237155 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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