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NSC243928 mesylate

CAT: 0013-GTR19243689-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19243689-01Size:1 g
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Description
NSC243928 mesylate is a human lymphocyte antigen 6 (LY6) binder, which also acts as an inhibitor of cell growth and has anticancer activity.
CAS Number
59988-01-1
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 10 mg/mL (19.86 mM; Ultrasonic (<60°C)
Smiles
O=S (=O) (O) C.O=S (=O) (NC1=CC=C (NC=2C=3C=CC=CC3N=C4C=CC=CC42) C (OC) =C1) CC
Molecular Formula
C23H25N3O6S2
Molecular Weight
503.59
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Ethanesulfonamide, N-(4-(acridinyl-9-ylamino)-3-methoxyphenyl)-, methanesulfonate
CAS Number59988-01-1
PubChem CID151601
IUPAC NameN-[4-(acridin-9-ylamino)-3-methoxyphenyl]ethanesulfonamide;methanesulfonic acid
Molecular FormulaC23H25N3O6S2
Molecular Weight503.6
Topological Polar Surface Area151
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity708
SMILES
CCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)OC.CS(=O)(=O)O
InChI
InChI=1S/C22H21N3O3S.CH4O3S/c1-3-29(26,27)25-15-12-13-20(21(14-15)28-2)24-22-16-8-4-6-10-18(16)23-19-11-7-5-9-17(19)22;1-5(2,3)4/h4-14,25H,3H2,1-2H3,(H,23,24);1H3,(H,2,3,4)
InChIKey
HPURJIOSFDKFBF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethanesulfonamide, N-(4-(acridinyl-9-ylamino)-3-methoxyphenyl)-, methanesulfonate
CAS: 59988-01-1
CID: 151601
Formula: C23H25N3O6S2
MW: 503.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight503.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass503.11847787
Monoisotopic Mass503.11847787
Topological Polar Surface Area151 Ų
Heavy Atom Count34
Formal Charge0
Complexity708
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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