Basic information
- CAS
315703-52-7- Standard SMILES
CCOc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1- InChIKey
ROYXIPOUVGDTAO-UHFFFAOYSA-N- Molecular formula
- C19H18N4OS
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.12013238
Overview
structure in first source
Names & identifiers
- Preferred name
- JK184
- IUPAC
- N-(4-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
- English name
- N-(4-Ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)thiazol-2-amine
- Molecular formula
- C19H18N4OS
- Molecular weight
- 350.44
Names & synonyms
315703-52-7JK184RefChem:150500683-690-1N-(4-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)thiazol-2-amineJK 184JK-184N-(4-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amineN-(4-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-thiazolamineMFCD01044465CHEMBL514622N-(4-ETHOXYPHENYL)-4-{2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL}-1,3-THIAZOL-2-AMINE
Show more names
CS-2369JK184 (JK-184JK184, 10 mM in DMSOHh Signaling Antagonist VIIJK 184, Hedgehog signaling inhibitorHH SIGNALING ANTAGONIST VIIJK-184,inhibit,JK 184,JK184,Inhibitor,HedgehogHh Signaling Antagonist VII, JK184 - CAS 315703-52-7 - Calbiochem
2-Thiazolamine, N-(4-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-Ethoxyphenyl)-4-(2-methylimida zo[1,2-a]pyridin-3-yl)-2-thiazolamineN-(4-Ethoxyphenyl)-4-(2-methylimidazo-[1,2-a]pyridin-3-yl)thiazol-2-amineHh Signaling Antagonist VII, JK1842-Thiazolamine, N-(4-ethoxyphenyl)-4-(2-methylimidazo(1,2-a)pyridin-3-yl)-Oprea1_052741Oprea1_737598MLS006010845
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- 20 mg/mL · DMSO: ≥20mg/mL
- form
- powder
- color
- off-white to light brown
- InChI
- 1S/C19H18N4OS/c1-3-24-15-9-7-14(8-10-15)21-19-22-16(12-25-19)18-13(2)20-17-6-4-5-11-23(17)18/h4-12H,3H2,1-2H3,(H,21,22)
- InChIKey
- ROYXIPOUVGDTAO-UHFFFAOYSA-N
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-41
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
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
Danger
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Safety data
- wgk
- 3
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesJK 184 is an imidazopyridine derivative that inhibits downstream hedgehog signaling, preventing Gli-dependent transcriptional activity (IC50 = 30 nM). It does so by inhibiting alcohol dehydrogenase 7 (IC50 = 210 nM) and depolymerizing microtubules, preventing their assembly, which is crucial for Gli function. JK 184 exhibits antiproliferative activity in a range of cancer cell lines (L3.6pl, Panc 05.04, BxPC3, D283 med, Daoy; GI50s = 3-21 nM) and in L3.6pl and BxPC3 pancreatic cancer xenograft models (0.2 mg/mouse/day).[Cayman Chemical]
UsesJK 184 is a small molecule antagonist of the Hedgehog (Hh) signaling pathway.
Suppliers63 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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