Basic information
- CAS
304684-77-3- Standard SMILES
COc1cc(C=NNc2ncnc3sc4c(c23)CCCC4)ccc1O- InChIKey
VFNUTEMVQGLDAG-UHFFFAOYSA-N- Molecular formula
- C18H18N4O2S
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.115047
Names & identifiers
- Preferred name
- 2-Methoxy-4-((2-(5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)hydrazineylidene)methyl)phenol
- IUPAC
- 2-methoxy-4-[(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol
- English name
- 2-Methoxy-4-[(5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-hydrazonomethyl]-phenol
- Molecular formula
- C18H18N4O2S
- Molecular weight
- 354.43
Names & synonyms
304684-77-32-Methoxy-4-((2-(5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)hydrazineylidene)methyl)phenol2-Methoxy-4-[(5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-hydrazonomethyl]-phenolCBDivE_004579orb1688772SCHEMBL29387288DTXSID508934842-Methoxy-4-{[2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl}phenolBenzaldehyde, 4-hydroxy-3-methoxy-, 2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazoneEMA684772-Methoxy-4-[(5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-hydrazonomethyl]phenolExo2
Show more names
Exo2 >=98% (HPLC)2-Methoxy-4-[(5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-hydrazonomethyl]-phenol
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- Boiling point
- 591 · 591.0±50.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 20 mg/mL · DMSO: >20mg/mL
- form
- powder
- pka
- 8.79 · 8.79±0.35(Predicted)
- color
- yellow
- Stability
- 1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 1 month.
- InChI
- 1S/C18H18N4O2S/c1-24-14-8-11(6-7-13(14)23)9-21-22-17-16-12-4-2-3-5-15(12)25-18(16)20-10-19-17/h6-10,23H,2-5H2,1H3,(H,19,20,22)/b21-9+
- InChIKey
- VFNUTEMVQGLDAG-ZVBGSRNCSA-N
- SMILES
- COc1cc(ccc1O)\C=N\Nc2ncnc3sc4CCCCc4c23
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- 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.
Safety data
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
DescriptionExo2 (304684-77-3) disrupts the Golgi apparatus and stimulates Golgi-ER fusion in mammalian cells.1 May be used to completely ablate the Golgi apparatus.1 Like brefeldin A (BFA), it inhibits anterograde transport and disrupts morphology of the trans-Golgi network (TGN) but unlike BFA, it does not induce tubulation and merging of the TGN and endosomal compartments.2 It perturbs trafficking of Shiga toxin between endosomes and the trans-Golgi network, in contrast to cholera toxin.1,2 Accelerates degradation of perilipin-2 proteins.3
UsesExo2 is a secretion inhibitor. Exo2 perturbs trafficking of Shiga toxin between endosomes and the trans-Golgi network. Exo2 blocks secretory cargo exit from the ER (endoplasmic reticulum) and disrupts the Golgi apparatus, but does not affect the morphology of the TGN (trans-Golgi network) Exo2 can stimulate calcium-dependent exocytosis in permeabilized adrenal chromaff in cells[1][2].
Suppliers7 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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