Basic information
- CAS
1690172-25-8- Standard SMILES
CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCNC(=O)C3(C)C)nc12- InChIKey
DTASTQAQBOZSRR-UHFFFAOYSA-N- Molecular formula
- C23H26FN5O2
- Average molar mass
- 423.5 g/mol
- Monoisotopic mass
- 423.20705325
Names & identifiers
- Preferred name
- 4-(8-(tert-Butyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one
- IUPAC
- 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one
- English name
- I-191 (I191)
- Molecular formula
- C23H26FN5O2
- Molecular weight
- 423.48
Names & synonyms
1690172-25-8I-1914-(8-(tert-Butyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-oneMFCD320627784-(8-(tert-Butyl)-6-(4-fluorophenyl)imidazo[1,2- b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-oneC23H26FN5O24-(8-tert-Butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-onePAR2 antagonist I-191orb1220524orb1300036SCHEMBL16598387
Show more names
I-191 ，E0102I-191 (I191)I-191, 10 mM in DMSOI-191,Inhibitor,I191,inhibit,I 191,Protease Activated Receptor (PAR),Thrombin receptors4-(8-(tert-Butyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one , I-1912-Piperazinone, 4-[[8-(1,1-dimethylethyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]carbonyl]-3,3-dimethyl-
GTPL10268EX-A9324QSC17225AKOS040759086EBC-251155VC-2258NCGC00841330-01MS-27438
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 701
Physicochemical properties
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 8.33 mg/mL · DMSO : 8.33 mg/mL (19.67 mM; Need ultrasonic)|
- pka
- 13.69 · 13.69±0.40(Predicted)
- form
- Solid
- color
- White to gray
- Water Solubility
- 0.1 mg/mL · Water : < 0.1 mg/mL (insoluble)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesI-191 is a potent, selective protease-activated receptor 2 (PAR2) antagonist[1].
Suppliers31 total
沈阳中申泽康生物医学技术研究有限公司024-88590548 18698872706 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Aladdin Scientific[email protected]
InvivoChem中国13549236410 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海楼岚生物科技有限公司021-52996696，15000506266 15000506266
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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