ML355 50mg

CAT: 0628-A18349-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A18349-50Size:50 mg

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CAS Number

1532593-30-8

Chemical Information

Vlx-1005

ML355 is a sulfonamide resulting from the formal condensation of the amino group of 2-aminobenzothiazole with the sulfo group of 4-[(2-hydroxy-3-methoxybenzyl)amino]benzenesulfonic acid. It is an inhibitor of 12-lipoxygenase, being developed by Veralox Therapeutics for the treatment of heparin-induced thrombocytopenia and thrombosis. It has a role as a platelet aggregation inhibitor and an EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor. It is a monomethoxybenzene, a member of phenols, a sulfonamide, a member of benzothiazoles, a substituted aniline and a secondary amino compound. It is functionally related to a 2-aminobenzothiazole.

CAS Number	1532593-30-8
PubChem CID	70701426
IUPAC Name	N-(1,3-benzothiazol-2-yl)-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzenesulfonamide
Molecular Formula	C21H19N3O4S2
Molecular Weight	441.5
XLogP	4.3
Topological Polar Surface Area	137
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	30
Formal Charge	0
Complexity	651

SMILES

COC1=CC=CC(=C1O)CNC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N3O4S2/c1-28-18-7-4-5-14(20(18)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-8-19(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24)

InChIKey

OWHBVKBNNRYMIN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1532593-30-8

CID: 70701426

Formula: C21H19N3O4S2

MW: 441.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	441.5
XLogP3	4.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	441.08169844
Monoisotopic Mass	441.08169844
Topological Polar Surface Area	137 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	651
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

Related Products

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A18349-10	ML355 10mg
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A18349-10mM-D	ML355 10mM * 1mL in DMSO
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Alternative Products

Catalog	Name
BUP15312-01	ML355
533249	ML355 free base
1871-50mg	TDM, 50mg
PPCBRPC010L50GA	50mg/1mL

ML355 50mg

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