Basic information
- CAS
2446803-65-0- Standard SMILES
Cc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)cc1- InChIKey
CQKVACARDGYEMU-VWLOTQADSA-N- Molecular formula
- C27H34N6O2
- Average molar mass
- 474.6 g/mol
- Monoisotopic mass
- 474.27432435
Names & identifiers
- Preferred name
- IL-17 modulator 4
- IUPAC
- N-[(2S)-1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
- English name
- 1H-Pyrazole-5-carboxamide, N-[(1S)-2,2-dicyclopropyl-1-[[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino]carbonyl]ethyl]-1-(1-methylethyl)-
- Molecular formula
- C27H34N6O2
- Molecular weight
- 474.6
Names & synonyms
IL-17 modulator 42446803-65-0CHEMBL5194116N-[(1S)-2,2-Dicyclopropyl-1-[[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino]carbonyl]ethyl]-1-(1-methylethyl)-1H-pyrazole-5-carboxamide(S)-N-(1,1-Dicyclopropyl-3-((4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl)amino)-3-oxopropan-2-yl)-1-isopropyl-1H-pyrazole-5-carboxamideLEO PPImLEO-PPImorb1693655SCHEMBL22143897GTPL12046GLXC-25946CVN03650
Show more names
IL-17 modulator 23CVN03650(IL-17 modulator 4)IL17 modulator 4,IL 17 modulator 4N-[(1S)-1-(dicyclopropylmethyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-isopropyl-pyrazole-3-carboxamide(2S)-3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-{[1-(propan-2-yl)-1H-pyrazol-5-yl]formamido}propanamide1H-Pyrazole-5-carboxamide, N-[(1S)-2,2-dicyclopropyl-1-[[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino]carbonyl]ethyl]-1-(1-methylethyl)-
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 749
Physicochemical properties
- Boiling point
- 754.2 · 754.2±60.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- form
- Solid
- pka
- 12.86 · 12.86±0.46(Predicted)
- color
- Off-white to gray
Chemistry & industry
Applications
UsesIL-17 modulator 4 is a proagent of IL-17 modulator 1 (HY-141535). IL-17 modulator 1 is an orally active, highly efficacious IL-17 modulator. IL-17 modulator 4 is promising for the research of IL-17A mediated diseases, including inflammation, autoimmune diseases, infectious diseases, cancer, and precancerous syndrome[1][2].
Suppliers20 total
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
Aladdin Scientific[email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
InvivoChem中国13549236410 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [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]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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