Semaxanib (SU5416)
Semaxanib (SU5416) structure
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Common Name | Semaxanib (SU5416) | ||
|---|---|---|---|---|
| CAS Number | 194413-58-6 | Molecular Weight | 238.28400 | |
| Density | 1.256g/cm3 | Boiling Point | 481.4ºC at 760mmHg | |
| Molecular Formula | C15H14N2O | Melting Point | 220-222℃ | |
| MSDS | N/A | Flash Point | 244.9ºC | |
Use of Semaxanib (SU5416)(Z)-Semaxanib (compound (z)-1) is a potent tyrosine kinase inhibitor. (Z)-Semaxanib shows cytotoxicity for TAMH and HepG2 cells with IC50s of 6.28 µM and 8.17 µM, respectively[1]. |
Summary: Semaxanib (SU5416), Chinese name 3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-1,3-dihydro-2H-indole-2-one, is a selective VEGFR (Flk-1 / KDR) inhibitor with CAS number 194413-58-6 and molecular formula C15H14N2O. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | SeMaxanib |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | (Z)-Semaxanib (compound (z)-1) is a potent tyrosine kinase inhibitor. (Z)-Semaxanib shows cytotoxicity for TAMH and HepG2 cells with IC50s of 6.28 µM and 8.17 µM, respectively[1]. |
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| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.256g/cm3 |
|---|---|
| Boiling Point | 481.4ºC at 760mmHg |
| Melting Point | 220-222℃ |
| Molecular Formula | C15H14N2O |
| Molecular Weight | 238.28400 |
| Flash Point | 244.9ºC |
| Exact Mass | 238.11100 |
| PSA | 44.89000 |
| LogP | 3.26220 |
| Vapour Pressure | 2E-09mmHg at 25°C |
| Index of Refraction | 1.683 |
| InChIKey | WUWDLXZGHZSWQZ-WQLSENKSSA-N |
| SMILES | Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1 |
| Storage condition | -20℃ |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~79%
Semaxanib (SU5416) CAS#:194413-58-6 |
| Literature: Blanche, Emilie A.; Maskell, Lesley; Colucci, Marie A.; Whatmore, Jacqueline L.; Moody, Christopher J. Tetrahedron, 2009 , vol. 65, # 25 p. 4894 - 4903 |
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~65%
Semaxanib (SU5416) CAS#:194413-58-6 |
| Literature: Lubkoll, Jana; Millemaggi, Alessia; Perry, Alexis; Taylor, Richard J.K. Tetrahedron, 2010 , vol. 66, # 33 p. 6606 - 6612 |
|
~57%
Semaxanib (SU5416) CAS#:194413-58-6 |
| Literature: Sugen, Inc. Patent: US6846839 B1, 2005 ; |
|
~19%
Semaxanib (SU5416) CAS#:194413-58-6 |
| Literature: Lubkoll, Jana; Millemaggi, Alessia; Perry, Alexis; Taylor, Richard J.K. Tetrahedron, 2010 , vol. 66, # 33 p. 6606 - 6612 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
Source: NCGC
External Id: SNCA-p-activity-luciferase
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Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
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Name: Human KIT proto-oncogene receptor tyrosine kinase (Type III RTKs: PDGFR, CSFR, Kit, F...
Source: IUPHAR-DB
Target: KIT proto-oncogene receptor tyrosine kinase (Type III RTKs: PDGFR, CSFR, Kit, FLT3 receptor family) [Homo sapiens]
External Id: 1805_Human
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Name: Tocris HTS for Inhibitors of Aerobactin Synthetase lucA
Source: 23265
External Id: IucA Pilot Assay Tocris Library
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Name: Human fms related tyrosine kinase 1 (Type IV RTKs: VEGF (vascular endothelial growth ...
Source: IUPHAR-DB
Target: fms related tyrosine kinase 1 (Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family) [Homo sapiens]
External Id: 1812_Human
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Name: Inhibition of VEGF-induced VEGFR2 phosphorylation in human U251 cells preincubated fo...
Source: ChEMBL
Target: Vascular endothelial growth factor receptor 2
External Id: CHEMBL4007192
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Name: Human platelet derived growth factor receptor beta (Type III RTKs: PDGFR, CSFR, Kit, ...
Source: IUPHAR-DB
Target: platelet derived growth factor receptor beta (Type III RTKs: PDGFR, CSFR, Kit, FLT3 receptor family) [Homo sapiens]
External Id: 1804_Human
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Name: In vitro inhibition of c-Abl tyrosine kinase expressed in baculovirus
Source: ChEMBL
Target: Tyrosine-protein kinase ABL1
External Id: CHEMBL819334
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Name: Inhibition of VEGF-stimulated autophosphorylation of VEGF-receptor 2 (KDR) expressed ...
Source: ChEMBL
Target: Vascular endothelial growth factor receptor 2
External Id: CHEMBL818396
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Name: Concentration required to achieve 50% inhibition of tyrosine phosphorylation on murin...
Source: ChEMBL
Target: Vascular endothelial growth factor receptor 1
External Id: CHEMBL818398
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| CK 1752A |
| Sematilide HCl |
| Sematilide monohydrochloride |
| SEMATILIDE HYDROCHLORIDE |
| Semaxanib (SU5416) |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of SeMaxanib? |
| A: LogP of SeMaxanib is 3.26220. |
| Q: What English synonyms does SeMaxanib have? |
| A: English synonyms of SeMaxanib: CK 1752A, Sematilide HCl, Sematilide monohydrochloride, SEMATILIDE HYDROCHLORIDE, Semaxanib (SU5416). |
| Q: What are the storage conditions for SeMaxanib? |
| A: Storage conditions for SeMaxanib: -20℃. |
| Q: What is the InChIKey of SeMaxanib? |
| A: InChIKey of SeMaxanib is WUWDLXZGHZSWQZ-WQLSENKSSA-N. |
| Q: What are the upstream materials of SeMaxanib? |
| A: Related upstream materials(CAS) of SeMaxanib: 2199-58-8;59-48-3;152302-94-8;110-89-4. |
| Q: What is the molecular formula of SeMaxanib? |
| A: Molecular formula of SeMaxanib is C15H14N2O. |
| Q: What is the polar surface area (PSA) of SeMaxanib? |
| A: Polar surface area (PSA) of SeMaxanib is 44.89000. |
| Q: What is the English name of SeMaxanib? |
| A: The English name of SeMaxanib is SeMaxanib. |
| Q: What are the uses of SeMaxanib? |
| A: Main uses of SeMaxanib: (Z)-Semaxanib (compound (z)-1) is a potent tyrosine kinase inhibitor. (Z)-Semaxanib shows cytotoxicity for TAMH and HepG2 cells with IC50s of 6.28 µM and 8.17 µM, respectively[1]. |
| Q: What is the boiling point of SeMaxanib? |
| A: Boiling point of SeMaxanib is 481.4ºC at 760mmHg. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |