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Mepazine hydrochloride

CAT: 0957-E1740-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0957-E1740-100mgSize:100 mg
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CAS Number
2975-36-2
Synonyms
Pecazine hydrochloride
Target
MALT
Applications
NF-κB
Molecular Formula
C19H22N2S.ClH
Additionnal Information
Mepazine hydrochloride (Pecazine hydrochloride) is a potent and selective inhibitor of MALT1 protease, with IC50 values of 0.83 μM for GSTMALT1 full length and 0.42 μM for GSTMALT1 aa 325-760. It effectively suppresses the activation of the NF-kB pathway specifically in activated B cell subtype of diffuse large B cell lymphoma (ABC-DLBCL) cells and makes it a promising candidate for the treatment of ABC-DLBCL.

Chemical Information

10H-Phenothiazine, 10-((1-methyl-3-piperidinyl)methyl)-, hydrochloride (1:1)
CAS Number2975-36-2
PubChem CID102907
IUPAC Name10-[(1-methylpiperidin-3-yl)methyl]phenothiazine;hydrochloride
Molecular FormulaC19H23ClN2S
Molecular Weight346.9
Topological Polar Surface Area31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity352
SMILES
CN1CCCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42.Cl
InChI
InChI=1S/C19H22N2S.ClH/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21;/h2-5,8-11,15H,6-7,12-14H2,1H3;1H
InChIKey
RLCFKYRNUBRPIK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 10H-Phenothiazine, 10-((1-methyl-3-piperidinyl)methyl)-, hydrochloride (1:1)
CAS: 2975-36-2
CID: 102907
Formula: C19H23ClN2S
MW: 346.9
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight346.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass346.1270476
Monoisotopic Mass346.1270476
Topological Polar Surface Area31.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity352
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes