Basic information
- CAS
331001-62-8- Standard SMILES
CC(=O)c1ccc(N/N=C(/C(N)=O)C2=NC(C)(C)Cc3ccccc32)cc1- InChIKey
ALJIEVIJBAJISI-NCELDCMTSA-N- Molecular formula
- C21H22N4O2
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.17427596
Names & identifiers
- Preferred name
- 2-((4-Acetylphenyl)hydrazinylidene)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide
- IUPAC
- (2E)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide
- English name
- 2-[(4-Acetylphenyl)azo]-2-(3,4-dihydro-3,3-diMethyl-1(2H)- isoquinolinylidene)acetaMide
- Molecular formula
- C21H22N4O2
- Molecular weight
- 362.43
Names & synonyms
331001-62-8IQ-1IQ 1LL3UF6K9ARUNII-LL3UF6K9ARMFCD003543692-(4-Acetyl-phenylazo)-2-(3,3-dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-acetamideIQ12-((4-Acetylphenyl)hydrazinylidene)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamideAcetamide, 2-(2-(4-acetylphenyl)diazenyl)-2-(3,4-dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-2-(2-(4-Acetylphenyl)diazenyl)-2-(3,4-dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)acetamideC21H22N4O2
Show more names
IQ-1 ，S8248IQ-1【SML1147】IQ 1, 10 mM in DMSOIQ-1, Wnt pathway activatorIQ-1 - CAS 331001-62-8 - Calbiochem2-[(4-Acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide2-[(4-Acetylphenyl)azo]-2-(3,4-dihydro-3,3-diMethyl-1(2H)- isoquinolinylidene)acetaMide2-((4-Acetylphenyl)diazenyl)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)acetamide2-[2-(4-Acetylphenyl)diazenyl]-2-(3,4-dihydro-3,3-diMethyl-1(2H)-isoquinolinylidene)-acetaMide
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 645
Physicochemical properties
- Boiling point
- 591.2 · 591.2±50.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 25 mg/ml; Ethanol: 10 mg/ml
- form
- powder
- pka
- 15.71 · 15.71±0.50(Predicted)
- color
- yellow to orange
- InChI
- 1S/C21H22N4O2/c1-13(26)14-8-10-16(11-9-14)24-25-19(20(22)27)18-17-7-5-4-6-15(17)12-21(2,3)23-18/h4-11,23H,12H2,1-3H3,(H2,22,27)/b19-18+,25-24
- InChIKey
- ZXSRRUROLCGTBS-ASEVQSCHSA-N
- SMILES
- CC(C1=CC=C(N=N/C(C(N)=O)=C2NC(C)(C)CC3=C/2C=CC=C3)C=C1)=O
- FDA UNII
- 3 UF6K9AR · LL3UF6K9AR
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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, P270, P301+P317, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
UsesIQ 1 disrupts Wnt signaling. IQ-1 in conjunction with Wnt3a has been shown to be sufficient to maintain murine embryonic stem cell proliferation in the absence of serum. Binds to the PR72/PR130 subunit of protein phosphatase PP2A preventing β-catenin from switching co-activator usage from CBP to p300 leading to an increase in β-catenin/CBP-driven transcription at the expense of β-catenin/p300-driven transcription.
Suppliers56 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
InvivoChem中国13549236410 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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