Basic information
- CAS
533-22-2- Standard SMILES
N=C(N)c1ccc(C=Cc2ccc(C(=N)N)cc2O)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO- InChIKey
XVTQTNAKZYLTNZ-UHFFFAOYSA-N- Molecular formula
- C20H28N4O9S2
- Average molar mass
- 532.6 g/mol
- Monoisotopic mass
- 532.12977083
Overview
Hydroxystilbamidine Isethionate is the isethionate salt form of hydroxystilbamidine, a cationic dye with antifungal, antitrypanosomal, antimalarial, and carcinostatic activities. Hydroxystilbamidine is able to bind to DNA and RNA in a non-intercalating manner, and is a powerful inhibitor of ribonucleases, thereby impeding cellular processes in protozoa. This agent was also shown to bind to lysosomes and induced a large number of lysosome-like bodies and secretion granules in trypanosome.
Names & identifiers
- Preferred name
- Hydroxystilbamidine Isethionate
- IUPAC
- 4-[2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide;bis(2-hydroxyethanesulfonic acid)
- English name
- 2-hydroxyethanesulphonic acid, compound with 4-[2-(4-amidinophenyl)vinyl]-3-hydroxybenzenecarboxamidine (2:1)
- Molecular formula
- C18H22N4O5S
- Molecular weight
- 406.46
Names & synonyms
533-22-20163PVD2QZ2-Hydroxy-4,4'-stilbenedicarboxamidine bis(2-hydroxyethanesulfonate) (salt)Benzenecarboximidamide, 4-(2-(4-(aminoiminomethyl)phenyl)ethenyl)-3-hydroxy-, bis(2-hydroxyethanesulfonate) (salt)2-hydroxy-4,4'-stilbenedicarboxamidine bis(2-hydroxyethanesulphonate) (salt)NSC-259242BENZENECARBOXIMIDAMIDE, 4-(2-(4-(AMINOIMINOMETHYL)PHENYL)ETHENYL)-3-HYDROXY-, BIS(2-HYDROXYETHANESULPHONATE) (SALT)HYDROXYSTILBAMIDINE ISETIONATE (MART.)HYDROXYSTILBAMIDINE ISETIONATE [MART.]RefChem:57469208-557-3Hydroxystilbamidine Isethionate
Show more names
Einecs 208-557-3HYDROXYSTIBAMIDIENISETHIONATE2-Hydroxy-4,4'-stilbenedicarboxamidine diisethionate2-Hydroxy-4,4'-diamidinostilbene di(beta-hydroxyethanesulfonate)Ethanesulfonic acid, 2-hydroxy-, compd. with 2-hydroxy-4,4'-stilbenedicarboxamidine (2:1) (8ci)2-Hydroxyethanesulphonic acid, compound with 4-(2-(4-amidinophenyl)vinyl)-3-hydroxybenzenecarboxamidine (2:1)
Properties
Computed structural properties
- Topological polar surface area
- 286 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 530
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physicochemical properties
- Melting point
- 286 ° · 286° (dec)
- FDA UNII
- 163 PVD2QZ · 0163PVD2QZ
Chemistry & industry
Applications
Uses2-Hydroxystilbamidine Diisethionate is a transmembrane domain 5 self-association disruptor. 2-Hydroxystilbamidine Diisethionate inhibits full-length LMP-1 signaling in Epstein-Barr virus infected cells.
Upstream & downstream products
Upstream raw materials
Suppliers2 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Related reactions
0 records
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Compound notes
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