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Basic information
- CAS
913186-74-0- Standard SMILES
Cc1nc(Nc2ccc(F)cc2)sc1C(=O)c1ccsc1- InChIKey
PEAMDZVDNYENPN-UHFFFAOYSA-N- Molecular formula
- C15H11FN2OS2
- Average molar mass
- 318.39 g/mol
Names & identifiers
- Preferred name
- [2-[(4-Fluorophenyl)amino]-4-methyl-5-thiazolyl]-3-thienylmethanone
- English name
- [2-[(4-Fluorophenyl)amino]-4-methyl-5-thiazolyl]-3-thienylmethanone
- Molecular formula
- C15H11FN2OS2
- Molecular weight
- 318.39
Names & synonyms
LY 2087101(2-Amino-5-keto)thiazole)[2-[(4-Fluorophenyl)amino]-4-methyl-5-thiazolyl]-3-thienylmethanoneMethanone, [2-[(4-fluorophenyl)amino]-4-methyl-5-thiazolyl]-3-thienyl-[2-(4-Fluoro-phenylamino)-4-methyl-thiazol-5-yl]-thiophen-3-yl-methanone
Database identifiers
- CAS
913186-74-0- PubChem CID
- 11964458
- EC Number
- 809-683-7
Properties
Physicochemical properties
- Melting point
- 160 · 160 - 163°C
- Boiling point
- 449.1 · 449.1±55.0 °C(Predicted)
- Density
- 1.407 · 1.407±0.06 g/cm3(Predicted)
- storage temp.
- 4 °C · Store at +4°C
- solubility
- 20 mg/mL, · DMSO: soluble20mg/mL, clear
- pka
- 2.71 · 2.71±0.10(Predicted)
- form
- powder
- color
- white to beige
- InChI
- 1S/C15H11FN2OS2/c1-9-14(13(19)10-6-7-20-8-10)21-15(17-9)18-12-4-2-11(16)3-5-12/h2-8H,1H3,(H,17,18)
- InChIKey
- PEAMDZVDNYENPN-UHFFFAOYSA-N
- SMILES
- Fc1ccc(cc1)Nc2[s]c(c(n2)C)C(=O)c3c[s]cc3
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 36 · 36/37/39
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
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
- wgk
- 3
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesLY 2087101 is a positive allosteric Nicotinic acetylcholine receptor (nAChR) modulators. nAChRs are found in the CNS and they respond to neurotransmitter acetylcholine.
Suppliers14 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
上海立崎生物医学研究中心18014399201 · [email protected]
北京迈瑞达科技有限公司010-82387566 18001021521 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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