Basic information
- CAS
790299-79-5- Standard SMILES
Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1- InChIKey
WJEOLQLKVOPQFV-UHFFFAOYSA-N- Molecular formula
- C28H30N6OS
- Average molar mass
- 498.6 g/mol
- Monoisotopic mass
- 498.22018078
Overview
Masitinib is a member of the class of benzamides that is the carboxamide resulting from the formal condensation of the carboxy group of 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid with the primary amino group of 4-methyl-N3-[4-(pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,3-diamine. It is a highly selective oral tyrosine kinase inhibitor. It has a role as an antineoplastic agent, an antirheumatic drug and a tyrosine kinase inhibitor. It is a member of benzamides, a member of pyridines, a member of 1,3-thiazoles and a N-alkylpiperazine.
Names & identifiers
- Preferred name
- Masitinib
- IUPAC
- 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
- English name
- Masitinib
- Molecular formula
- C28H30N6OS
- Molecular weight
- 498.64
Names & synonyms
Masitinib790299-79-5MasatinibAB1010AB 1010KinavetKinavet CA-1M59NC4E26PN-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamideCHEBI:634504-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)benzamide4-((4-Methylpiperazin-1-yl)methyl)-N-(4-methyl-3-((4-(pyridin-3-yl)-1,3-thiazol-2-yl)amino)phenyl)benzamide
Show more names
MasivetMastinibCS-153MarsetiniMarseitini
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide4-((4-METHYLPIPERAZIN-1-YL)METHYL)-N-(4-METHYL-3-((4-PYRIDIN-3-YL-1,3-THIAZOL-2-YL)AMINO)PHENYL)BENZAMIDEmasitinibumN-(4-methyl-3-((4-(pyridin-3-yl)-1,3-thiazol-2-yl)amino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamideRefChem:925347L01XE22Masitinib (AB1010)AB-1010
Database identifiers
- CAS
790299-79-5- PubChem CID
- 10074640
- DTXSID
DTXSID001000207- ChEMBL
CHEMBL1908391- ChEBI
CHEBI:63450- UNII
- M59NC4E26P
- Nikkaji
- J2.920.360A
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 696
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 90 · 90-95°C
- Density
- 1.28 · 1.280±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.24 · 13.24±0.70(Predicted)
- color
- Off-White to Pale Beige
- InChIKey
- WJEOLQLKVOPQFV-UHFFFAOYSA-N
- SMILES
- C(NC1=CC=C(C)C(NC2=NC(C3=CC=CN=C3)=CS2)=C1)(=O)C1=CC=C(CN2CCN(C)CC2)C=C1
- FDA UNII
- 59 NC4E26P · M59NC4E26P
- ATC code
- 1 EX06 · L01EX06
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H361-H335-H373
- Precautionary statements
- 201 · P201-P202-P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P308+P313-P312-P321-P314-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralRepr · Acute Tox. 4 OralRepr. 2STOT RE 2
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
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H361-H335-H373
- Hazard Classifications
- Acute Tox. 4 OralRepr. 2STOT RE 2
- Precautionary statements
- P201-P202-P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P308+P313-P312-P321-P314-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501
Chemistry & industry
Pharmacology
ATC Code
L - Antineoplastic and immunomodulating agents
QL - Antineoplastic and immunomodulating agents
Applications
UsesMasitinib is a novel tyrosine kinase inhibitor (TKI) being developed by AB Science to treat symptoms of amyotrophic lateral sclerosis (ALS). Masitinib controlled-release implant for treating solid neoplasm.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
上海欧堃化学有限公司(QQ 39130253)021-68712331 39130253 · [email protected]
上海玉雕化学技术有限公司021-37285211 18964703211 · [email protected]
上海波以尔化工有限公司[email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
广州市亿邦医药科技有限公司+86 (20) 28996708,29078958,28139708,29076128,28133708,28139728,28139738,28133718,021-31663278,021-31663578,021-60538387
上海格物致知医药科技有限公司21-21-54301573 13917723525 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
武汉永璨生物科技有限公司17702719238 · [email protected]
VDM Biochemicals0330-2528181 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
杭州东帆化学有限公司86-0571-85151182
济南精合医药科技有限公司0531-88811783 · [email protected]
HONG KONG IPURE BIOLOGY CO.,LIMITED86 18062405514 18062405514 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
Wuhan NCE Biomedical Co.,Ltd.4000-027-021 |24 +86-13986109188 | +86-15623472865 | +81-08033611988
信实生物医药（上海）有限公司+86-021-50720296 · [email protected]
上海诺宝化工有限公司+86(0)21 60484900
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
南京百鑫德诺生物科技有限公司025-58849295 · [email protected]
广州市慈铭生物科技有限公司020-38082199,29065168,38082986,29878298,29866629,4000192398
上海孚一生物科技有限公司+86 (21) 61124340
凯试（上海）科技有限公司021-50135380 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
上海楼岚生物科技有限公司021-52996696，15000506266 15000506266
上海泽涵生物医药科技有限公司021-61350663 13052117465 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
四川众诚医药化工有限公司028-83126208 19981688298 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
台州市瑞欣化工有限公司0576-89085261 15867635987 · [email protected]
Additional notes
DefinitionChEBI: Masitinib is a member of the class of benzamides that is the carboxamide resulting from the formal condensation of the carboxy group of 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid with the primary amino group of 4-methyl-N(3)-[4-(pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,3-diamine. It is a highly selective oral tyrosine kinase inhibitor. It has a role as a tyrosine kinase inhibitor, an antineoplastic agent and an antirheumatic drug. It is a N-alkylpiperazine, a member of 1,3-thiazoles, a member of pyridines and a member of benzamides.
Related reactions
3 records
Compound notes
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