Masitinib

CAT: 0926-FM65073-04Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0926-FM65073-04Size:500 mg

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CAS Number

790299-79-5

MDL Number

MFCD09954132

Smiles

CC1=C (C=C (C=C1) NC (=O) C2=CC=C (C=C2) CN3CCN (CC3) C) NC4=NC (=CS4) C5=CN=CC=C5

Molecular Formula

C28H30N6OS

Molecular Weight

498.64 g/mol

Controlled

Chemical Information

Masitinib

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.

CAS Number	790299-79-5
PubChem CID	10074640
IUPAC Name	4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
Molecular Formula	C28H30N6OS
Molecular Weight	498.6
XLogP	4.3
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	36
Formal Charge	0
Complexity	696

SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5

InChI

InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32)

InChIKey

WJEOLQLKVOPQFV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 790299-79-5

CID: 10074640

Formula: C28H30N6OS

MW: 498.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	498.6
XLogP3	4.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	498.22018078
Monoisotopic Mass	498.22018078
Topological Polar Surface Area	102 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	696
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
BUP14486-01	Masitinib

Masitinib

Chemical Information

Alternative Products

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