Basic information
- CAS
26130-02-9- Standard SMILES
COc1ccc2nc(NC(=O)Nc3ccccc3)sc2c1- InChIKey
JHBWYQRKOUBPCA-UHFFFAOYSA-N- Molecular formula
- C15H13N3O2S
- Average molar mass
- 299.3 g/mol
- Monoisotopic mass
- 299.07284784
Overview
Frentizole is a small molecule drug. Frentizole has a monoisotopic molecular weight of 299.07 Da.
Names & identifiers
- Preferred name
- Frentizole
- IUPAC
- 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylurea
- English name
- Frentizole
- Molecular formula
- C15H13N3O2S
- Molecular weight
- 299.35
Names & synonyms
FRENTIZOLE26130-02-9FrentizolFrentizolumCompound 536161-(6-Methoxy-2-benzothiazolyl)-3-phenylureaDTXSID5046279COMPOUND-536167EY946394IDTXCID3026279RefChem:600392666-432-2
Show more names
FrenazoleLilly-53616Frentizole, 10 mM in DMSON-[6-Methoxybenzo[d]thiazol-2-yl]-N'-phenylureaβ-amyloid peptide,systemic lupus erythematosus,Aβ-ABAD,Inhibitor,rheumatoid arthritis,inhibit,Abeta,immunosuppressant,Amyloid-β,Frentizole
1-(6-methoxybenzo[d]thiazol-2-yl)-3-phenylureaUrea, N-(6-methoxy-2-benzothiazolyl)-N'-phenyl-1-(6-methoxybenzothiazol-2-yl)-3-phenylurea1-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylureaMLS000555007CHEMBL1289883-(6-methoxy-1,3-benzothiazol-2-yl)-1-phenylureaN-(6-methoxy-1,3-benzothiazol-2-yl)-N'-phenylurea
Database identifiers
- CAS
26130-02-9- PubChem CID
- 33334
- DTXSID
DTXSID5046279- ChEMBL
CHEMBL128988
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 363
Experimental & physicochemical properties
Solubility<0.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.42 · 1.420±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 3 mg/mL · DMSO: ≥ 3 mg/mL (10.02 mM)
- pka
- 7.02 · 7.02±0.70(Predicted)
- form
- Powder
- color
- White to off-white
- FDA UNII
- 7 EY946394I · 7EY946394I
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H413
- Precautionary statements
- 264 · P264-P270-P273-P280-P301+P312+P330-P305+P351+P338-P337+P313-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H413
- Precautionary statements
- P264-P270-P273-P280-P301+P312+P330-P305+P351+P338-P337+P313-P501
Chemistry & industry
Applications
UsesImmunoregulator.
Suppliers40 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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