Cystamine dihydrochloride - CAS 56-17-7

Name: Cystamine dihydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB029281
Product Name:	Cystamine dihydrochloride
CAS:	56-17-7
Synonyms:	2-(2-aminoethyldisulfanyl)ethanamine;dihydrochloride
Application:	Enzyme Inhibitors

Technical Data

IUPAC Name:	2-(2-aminoethyldisulfanyl)ethanamine;dihydrochloride
Description:	Cystamine dihydrochloride is the dihydrochloride salt of cystamine, which is an organic disulfide that inhibits tissue transglutaminase (TGM2) with an IC50 value of approximately 2.5 mM. It is orally available, and decreases aggregated and cross-linked huntingtin in transfected cells. It is neuroprotective in mouse models of Huntington's disease. It has exhibited suppressive effects against HIV replication in infected human cells. It could extend survival and improve motor performance in transgenic HD mice. It inhibits caspase 3, increases intracellular glutathione, and reduces inflammation in a rat model of inflammatory bowel disease.
Molecular Weight:	225.20
Molecular Formula:	C4H14Cl2N2S2
Canonical SMILES:	C(CSSCCN)N.Cl.Cl
InChI:	InChI=1S/C4H12N2S2.2ClH/c5-1-3-7-8-4-2-6;;/h1-6H2;2*1H
InChI Key:	YUFRRMZSSPQMOS-UHFFFAOYSA-N
Boiling Point:	264.8 °C at 760 mmHg
Melting Point:	217-220 °C
Flash Point:	113 °C
Purity:	> 97 %
Density:	1.172 g/cm³
Appearance:	Solid
Storage:	Inert atmosphere. Room temperature.
MDL:	MFCD00012905
LogP:	3.28980

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
23571415	20130601	Structure-based identification of OATP1B1/3 inhibitors	Molecular pharmacology
22871421	20121101	Cystamine-terminated poly(beta-amino ester)s for siRNA delivery to human mesenchymal stem cells and enhancement of osteogenic differentiation	Biomaterials
22998108	20121016	Hypercrosslinked large surface area porous polymer monoliths for hydrophilic interaction liquid chromatography of small molecules featuring zwitterionic functionalities attached to gold nanoparticles held in layered structure	Analytical chemistry
22212591	20120901	Cystamine attenuates lupus-associated apoptosis of ventricular tissue by suppressing both intrinsic and extrinsic pathways	Journal of cellular and molecular medicine
22684023	20120901	New mechanistic explanation for the localization of ulcers in the rat duodenum: role of iron and selective uptake of cysteamine	Archives of biochemistry and biophysics

Complexity:	37
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.9975462
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	223.9975462
Rotatable Bond Count:	5
Topological Polar Surface Area:	103 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0